Exhaust Emission Profiles for EPA 

SPECIATE Database: 

Energy Policy Act (EPAct) Low-Level 

Ethanol Fuel Blends and Tier 2 LightDuty Vehicles 
Exhaust Emission Profiles for EPA 


SPECIATE Database: 


Energy Policy Act (EPAct) Low-Level 


Ethanol Fuel Blends and Tier 2 LightDuty Vehicles 


Assessment and Standards Division 

Office of Transportation and Air Quality 

U.S. Environmental Protection Agency 

EPA-420-R-09-002 

June 2009 
Table of Contents 

1.0 Introduction....................................................................................................................... 1

1.1 Background..................................................................................................................... 1 

1.2 Purpose of the Project ..................................................................................................... 1 

2.0 Methods.............................................................................................................................. 2

2.1 Exhaust Emissions Data.................................................................................................. 2 

2.2 Calculation of Composite Profiles.................................................................................. 3 

2.3 Adjustment of E0 and E10 profiles with an In-Use Gasoline......................................... 3 

2.4 Assignment of SPECIATE Identification Numbers ....................................................... 4 

3.0 Results ................................................................................................................................ 4

3.1 Composite Profiles.......................................................................................................... 4

Appendix A: SPECIATE4 IDs from Spec4Asn-8-10-06.xls.................................................. A-1 

List of Tables 

Table 1: EPAct Phase I testing fuel properties. .............................................................................. 3 

Table 2: SPECIATE surrogates used by ENVIRON.2.................................................................... 4 

Table 3: Composite profile percentages by compound class.......................................................... 5 

Table 4: Composite profile percentages of selected compounds.................................................... 5 

Table 5: Composite profile percentages with all compounds......................................................... 6 

i 
1.0 Introduction 

1.1 Background 

To model the impact of air pollutant emissions, speciation profiles are used to distribute 

individual chemical compounds in total volatile organic compound (VOC) emissions into 

emission estimates for individual species. The EPA maintains a database of VOC and particulate 

matter (PM) speciation profiles for various emission sources including mobile sources. This 

database, called SPECIATE,1 maintains the record of each profile including its referenced 

source, testing methods, a subjective rating of the quality of the data, and other detailed data that 

allow researchers to decide which profile is most suitable for model input. These profiles are 

used in air quality modeling runs such as those done with the CMAQ (Community Multi-scale 

Air Quality) model. 

Existing SPECIATE profiles become outdated as mobile source emission standards change and 

as newer and stricter standards result in more stringent control technologies. Transportation 

fleets are expected to begin using renewable fuels at an increasing rate, and the use of ethanol in 

gasoline fuel blends will affect the speciation of hydrocarbons in both exhaust and evaporative 

emissions. In addition, passenger cars and trucks started meeting Tier 2 emission standards with 

model year 2004. Older speciation profiles do not fully represent this change in technology. The 

fuel type and fleet turnover changes provide the basis for the development of new passenger car 

and truck SPECIATE profiles. 

Exhaust emission profiles were recently updated for pre-Tier 2 vehicles running on E0 (gasoline 

without ethanol) based on data from a large cooperative test program in Kansas City, Missouri in 

which EPA participated.

2 An E10 (gasoline with 10% ethanol) profile was developed by 

adjusting the E0 profile, based on expected changes in a subset of chemical species due to 

addition of ethanol to gasoline. A pre-Tier 2 vehicle profile was also updated for vehicles 

running on E85 (gasoline with 85% ethanol) using data from an EPA Office of Research and 

Development program testing light-duty vehicles on ethanol gasoline blends.2 

This project examined only exhaust emission profiles. Evaporative emission profiles are being 

updated in a separate EPA program using information from the Coordinating Research Council. 

However, these updated evaporative emission profiles may not be available for another year or 

two. In addition, another EPA program is currently characterizing and quantifying the 

hydrocarbon components associated with PM emissions. Data from higher level ethanol blends 

(such as E85) are being obtained separately. 

1.2 Purpose of the Project 

Exhaust emission profiles from Tier 2 light-duty vehicles with 0%, 10% and 15% ethanolblended gasoline were developed by ENVIRON International Corporation under EPA Contract 

1 SPECIATE 4.0 Database. http://www.epa.gov/ttn/chief/software/speciate/index.html 2

 ENVIRON International Corporation. 2008. Emission profiles for EPA SPECIATE database. EPA Contract No: 

EP-C-06-094. 

1 
EP-D-07-102 (Work Assignment Number 1-09).3

 These profiles were composites based on 

individual vehicle test data from a program designed to collect data from Tier 2 light-duty 

vehicles running on low-level ethanol fuel blends.4 The program was developed by EPA’s 

Office of Transportation and Air Quality to meet the requirements of the Energy Policy Act 

(EPAct) of 2005. Details for underlying test data are provided in Section 2.1 below. After the 

contract was completed, EPA re-calculated the exhaust emission profiles using an alternate 

weighting system which is described below. This weighting system uses as an input the 

distances driven in the LA92 test cycle, since this is the test cycle used to generate the data. 

ENVIRON used a weighting system that attempts to make the emissions data relevant for 

comparison to other programs in which the FTP cycle was used to generate the exhaust data. 

After recalculating the profiles with the LA92 weighting procedure, EPA made adjustments to 

the aromatic composition of the E0 and E10 profiles. Blending procedures used on the E0 and 

E10 fuels affected the aromatic composition in a manner inconsistent with real-world fuels. The 

EPA normalized the profile percents of aromatic compounds in the E0 and E10 profiles using 

profiles developed with an in-use gasoline (Kansas City test program).2 This adjustment did not 

affect the total percentage of aromatics in the exhaust but rather the relative composition of one 

aromatic compound to another (such as the relative proportion of toluene versus xylenes). 

This report describes the LA92 weighting and adjustment procedures and presents the resulting 

exhaust emissions profiles to be used in the SPECIATE database. 

2.0 Methods 

2.1 Exhaust Emissions Data 

Exhaust emission profiles were developed with EPA’s Office of Transportation and Air Quality 

EPAct Phase I Testing Data.4 Testing and data collection were conducted by the Southwest 

Research Institute. Data included emission factors (mg/mi) for speciated compounds from three 

bags collected over the LA92 drive cycle with Bags 1, 2, and 3 representing 1.19 mi, 8.63 mi, 

and 1.19 mi, respectively. Speciated compounds included volatile organic compounds (VOCs), 

aldehydes, ketones, and alcohols. Nineteen Tier 2 light-duty vehicles were tested with multiple 

runs across three fuels: E0, E10, E15 (gasoline with 15% ethanol). Fuel properties are shown in 

Table 1. Data from all three bags were collected for three vehicles only; these data were used to 

create composite emission factors and subsequent composite profiles (Section 2.2 below). The 

three vehicles were all model year 2008 and included one I-4 compact sedan, one V-6 mini-van, 

and one V-8 full-size truck. At least two test runs were performed for each vehicle, and three 

3

 ENVIRON International Corporation. 2008. Emission profiles for EPA SPECIATE database, Part 2: EPAct fuels. 

EPA Contract No: EP-D-07-102. 

4

 US EPA. 2008. EPAct Phase I Testing: Comprehensive Gasoline Light-Duty Exhaust Fuel Effects Test Program 

to Cover Multiple Fuel Properties and Two Ambient Test Temperatures. EPA Contract: EPC-07-028EPA. 

Southwest Research Institute, San Antonio, TX 

2 
test runs were performed in some cases. E0, E10, and E15 fuel types included 9, 6, and 7 test 

runs, respectively, across all three vehicles. 

Table 1: EPAct Phase I testing fuel properties. 

Test Units E0 E10 E15 

RVP psi 9.0 9.0 9.0 

T50 °F 215 211 180 

T90 °F 323 319 313 

Aromatics vol% 29.5 24.7 25.9 

Benzene vol% 0.46 0.68 0.71 

Toluene vol% 4.59 4.39 6.37 

2.2 Calculation of Composite Profiles 

Composite emission factors (EFs), representing a composite of cold start (Bag 1), hot start (Bag 

3), and hot-stabilized operation (Bag 2) were calculated using straight-weighting, i.e., bags were 

multiplied by the LA92 distances without applying additional weighting factors. Equation 1 

below was used to determine composite values for the three vehicles with EFs from Bags 1, 2, 

and 3. An EF reported as non-detect (ND) was treated as a zero. 

(EFBag1 ×1.19mi) + (EFBag2 ×8.63mi) + (EFBag3 ×1.19mi) EFComposite = Eq. 1 

(1.19mi + 8.63mi +1.19mi) 

Where: 

EFComposite = Composite emission factor in mg/mi 

EFBag1 = Bag 1 emission factor in mg/mi 

EFBag2 = Bag 2 emission factor in mg/mi 

EFBag3 = Bag 3 emission factor in mg/mi 

Individual compound EFs were flagged as outliers for a given test run if their values were 

outside the bounds of 3.5 standard deviations from the mean. No outlier test runs were 

determined for the composite profiles. The percentage of each compound in a test run was then 

calculated by dividing its composite EF by the sum of all EFs for that test run. Percentages for a 

given compound were averaged across all test runs per fuel type. 

2.3 Adjustment of E0 and E10 profiles with an In-Use Gasoline 

The aromatic composition of the E0 and E10 fuels, used to develop the E0 and E10 emission 

exhaust profiles, was found upon speciation of the fuel blends to be inconsistent with the specific 

aromatic compounds found in real-world fuels. EPA adjusted the profile percents of aromatic 

compounds in the E0 and E10 profiles using the E0 and E10 profiles developed with the Kansas 

City test program, which uses an in-use gasoline.

2 The ratio of each aromatic compound to total 

3 
aromatic composition of the exhaust emission profile was determined for the Kansas City E0 and 

E10 profiles and applied to the respective E0 and E10 profiles developed in this program. The 

resulting adjusted E0 and E10 profiles, as well the unadjusted E15 profile, were then presented 

for inclusion into SPECIATE following the assignment of SPECIATE ID numbers. 

2.4 Assignment of SPECIATE Identification Numbers 

SPECIATE41 identification numbers were matched to compounds in the exhaust emission 

profiles using CAS numbers and SPECIATE4 IDs in the Spec4Asn-8-10-06.xls file created by 

William Carter (Appendix A). Compounds without CAS numbers were matched with 

ENVIRON’s SPECIATE4 IDs.2

 For compounds that did not have a one-to-one match with a 

SPECIATE4 compound, ENVIRON used the most similar SPECIATE4 compound. Table 2 lists 

the SPECIATE substitutions made by ENVIRON. 

Table 2: SPECIATE surrogates used by ENVIRON.2 

All Carter-matched SPECIATE4 IDs were checked against ENVIRON’s SPECIATE4 IDs. Two 

compounds showed different SPECIATE4 IDs: 1-trans-2-cis-3-trimethylcyclopentane and 2­

methylbutylbenzene (sec amylbenzene). The fractions of both compounds in the profile were less 

than 0.01%. The Carter SPECIATE4 ID (1537) was chosen for 1-trans-2-cis-3­

trimethylcyclopentane as both the Carter and ENVIRON ID code appear to map to same 

mechanism species. ENVIRON’s SPECIATE4 ID (83) was chosen for 2-methylbutylbenzene 

(sec amylbenzene) since the Carter ID code was already used in a cold start profile for n-pentbenzene. 

3.0 Results 

3.1 Composite Profiles 

The final composite profiles for E0, E10, and E15 are presented in Tables 3, 4 and 5. Table 3 

shows percentages of compounds grouped by class. Table 4 shows percentages for five 

compounds of interest. Table 5 shows the complete profiles with all compounds and includes 

CAS and SPECIATE ID numbers. These profiles will be released in the next update of the 

SPECIATE database, SPECIATE 4.2 (anticipated profile numbers: 8756-8758). 

4 
Table 3: Composite profile percentages by compound class. 

Compound E0 E10 E15 

Paraffins 46.98% 44.38% 47.15% 

Olefins 22.53% 22.33% 21.64% 

Oxygenate 0.00% 0.00% 0.00% 

Aromatics 24.93% 25.02% 22.00% 

Aldehydes 2.22% 2.94% 3.75% 

Ketones 0.43% 0.36% 0.51% 

Alcohols 2.91% 4.98% 4.95% 

Sum 100.00% 100.00% 100.00% 

Table 4: Composite profile percentages of selected compounds. 

Compound E0 E10 E15 

1,3-Butadiene 1.16% 0.89% 0.51% 

Acetaldehyde 0.45% 1.61% 2.23% 

Acrolein 0.09% 0.07% 0.08% 

Benzene 3.43% 3.78% 3.82% 

Formaldehyde 0.93% 0.87% 1.07% 

5 
Table 5: Composite profile percentages with all compounds. 

Compound CAS Number Specie ID E0 E10 E15 

METHANE 74-82-8 529 16.291% 17.358% 17.010% 

ETHANE 74-84-0 438 2.617% 2.704% 2.776% 

ETHYLENE 74-85-1 452 10.477% 10.053% 9.920% 

PROPANE 74-98-6 671 0.133% 0.151% 0.106% 

PROPYLENE 115-07-1 678 4.059% 3.991% 3.809% 

ACETYLENE 74-86-2 282 1.445% 1.647% 1.341% 

BUTANE 106-97-8 592 3.526% 3.554% 2.247% 

TRANS-2-BUTENE 624-64-6 737 0.492% 0.358% 0.342% 

1-BUTENE 106-98-9 64 0.731% 0.683% 0.641% 

2-METHYLPROPENE (ISOBUTYLENE) 115-11-7 497 1.623% 1.918% 1.827% 

2,2-DIMETHYLPROPANE (NEOPENTANE) 463-82-1 127 0.000% 0.000% 0.000% 

1,3-BUTADIENE 106-99-0 46 1.157% 0.891% 0.512% 

CIS-2-BUTENE 590-18-1 367 0.360% 0.289% 0.277% 

2-METHYLBUTANE (ISOPENTANE) 78-78-4 508 2.188% 0.669% 7.214% 

PENTANE 109-66-0 605 0.485% 0.124% 0.563% 

2-METHYL-1,3-BUTADIENE 78-79-5 511 0.174% 0.102% 0.461% 

TRANS-2-PENTENE 646-04-8 742 0.238% 0.046% 0.088% 

3,3-DIMETHYL-1-BUTENE 558-37-2 203 0.000% 0.000% 0.006% 

CIS-2-PENTENE 627-20-3 371 0.135% 0.218% 0.213% 

2-METHYL-2-BUTENE 513-35-9 185 0.510% 0.000% 0.118% 

CYCLOPENTADIENE 542-92-7 48 0.237% 0.135% 0.153% 

2,2-DIMETHYLBUTANE 75-83-2 122 0.017% 0.018% 0.059% 

CYCLOPENTENE 142-29-0 391 0.132% 0.064% 0.034% 

4-METHYL-1-PENTENE 691-37-2 258 0.000% 0.050% 0.000% 

3-METHYL-1-PENTENE 760-20-3 232 0.000% 0.000% 0.031% 

CYCLOPENTANE 287-92-3 390 0.080% 0.000% 0.053% 

2,3-DIMETHYLBUTANE 79-29-8 136 0.537% 0.268% 0.309% 

2-METHYLPENTANE 107-83-5 199 0.949% 1.010% 0.775% 

4-METHYL-TRANS-2-PENTENE 674-76-0 262 0.000% 0.000% 0.000% 

3-METHYLPENTANE 96-14-0 248 0.610% 1.135% 0.436% 

2-METHYL-1-PENTENE 763-29-1 184 0.000% 0.541% 0.422% 

1-HEXENE 592-41-6 78 0.000% 0.541% 0.422% 

HEXANE 110-54-3 601 0.279% 2.911% 0.883% 

UNIDENTIFIED C6 #N/A 1999 0.115% 0.023% 0.069% 

CIS-3-HEXENE 7642-09-3 372 0.000% 0.032% 0.000% 

TRANS-2-HEXENE 4050-45-7 740 0.081% 0.033% 0.017% 

3-METHYL-TRANS-2-PENTENE 616-12-6 239 0.095% 0.018% 0.000% 

2-METHYL-2-PENTENE 625-27-4 187 0.072% 0.018% 0.015% 

3-METHYLCYCLOPENTENE 1120-62-3 242 0.000% 0.000% 0.000% 

CIS-2-HEXENE 7688-21-3 369 0.000% 0.000% 0.006% 

3-METHYL-CIS-2-PENTENE 922-62-3 236 0.123% 0.000% 0.006% 

2,2-DIMETHYLPENTANE 590-35-2 126 0.154% 0.400% 0.261% 

METHYLCYCLOPENTANE 96-37-7 551 0.151% 0.386% 0.259% 

2,4-DIMETHYLPENTANE 108-08-7 152 0.402% 0.273% 0.217% 

2,2,3-TRIMETHYLBUTANE 464-06-2 112 0.020% 0.018% 0.000% 

6 
Table 5 (cont.): Composite profile percentages with all compounds. 

Compound CAS Number Specie ID E0 E10 E15 

3,4-DIMETHYL-1-PENTENE 7385-78-6 209 0.000% 0.000% 0.000% 

1-METHYLCYCLOPENTENE 693-89-0 103 0.036% 0.005% 0.000% 

BENZENE 71-43-2 302 3.426% 3.793% 3.821% 

CYCLOHEXANE 110-82-7 385 10.067% 5.622% 0.980% 

2-METHYLHEXANE 591-76-4 194 0.068% 0.000% 0.571% 

2,3-DIMETHYLPENTANE 565-59-3 140 0.269% 0.547% 0.000% 

1,1-DIMETHYLCYCLOPENTANE 1638-26-2 20 0.000% 0.011% 0.000% 

CYCLOHEXENE 110-83-8 388 0.269% 0.214% 0.009% 

3-METHYLHEXANE 589-34-4 245 0.116% 0.254% 0.352% 

CIS-1,3-DIMETHYLCYCLOPENTANE 2532-58-3 353 0.000% 0.018% 0.079% 

3-ETHYLPENTANE 617-78-7 229 0.000% 0.024% 0.059% 

TRANS-1,2-DIMETHYLCYCLOPENTANE 822-50-4 725 0.000% 0.006% 0.073% 

TRANS-1,3-DIMETHYLCYCLOPENTANE 1759-58-6 727 0.000% 0.000% 0.000% 

1-HEPTENE 592-76-7 76 0.000% 0.000% 0.000% 

2,2,4-TRIMETHYLPENTANE 540-84-1 118 3.188% 1.227% 1.763% 

HEPTANE 142-82-5 600 0.041% 0.293% 0.883% 

UNIDENTIFIED C7 #N/A 2005 0.044% 0.000% 0.000% 

2,4,4-TRIMETHYL-1-PENTENE 107-39-1 141 0.000% 0.332% 0.602% 

2,3-DIMETHYL-2-PENTENE 10574-37-5 135 0.000% 0.000% 0.000% 

METHYLCYCLOHEXANE 108-87-2 550 0.000% 0.476% 1.403% 

2,2-DIMETHYLHEXANE 590-73-8 124 0.000% 0.000% 0.000% 

1,1,3-TRIMETHYLCYCLOPENTANE 4516-69-2 13 0.000% 0.000% 0.065% 

2,4,4-TRIMETHYL-2-PENTENE 107-40-4 142 0.000% 0.127% 0.201% 

2,2,3-TRIMETHYLPENTANE 564-02-3 113 0.575% 0.184% 0.352% 

2,4-DIMETHYLHEXANE 589-43-5 149 0.395% 0.183% 0.319% 

1-TRANS-2-CIS-4-TRIMETHYLCYCLOPENTANE #N/A 1540 0.000% 0.000% 0.039% 

3,3-DIMETHYLHEXANE 563-16-6 206 0.000% 0.000% 0.000% 

1-TRANS-2-CIS-3-TRIMETHYLCYCLOPENTANE 19374-46-0 1537 0.000% 0.000% 0.006% 

2,3,4-TRIMETHYLPENTANE 565-75-3 130 1.084% 0.352% 0.497% 

2,3,3-TRIMETHYLPENTANE 560-21-4 128 1.008% 0.349% 0.598% 

TOLUENE 108-88-3 717 7.542% 7.440% 5.831% 

2,3-DIMETHYLHEXANE 584-94-1 138 0.038% 0.056% 0.121% 

2-METHYLHEPTANE 592-27-8 193 0.000% 0.135% 0.444% 

3,4-DIMETHYLHEXANE 583-48-2 212 0.016% 0.000% 0.018% 

4-METHYLHEPTANE 589-53-7 264 0.000% 0.004% 0.000% 

3-METHYLHEPTANE 589-81-1 244 0.000% 0.102% 0.296% 

1-CIS,2-TRANS,3-TRIMETHYLCYCLOPENTANE #N/A 357 0.000% 0.067% 0.299% 

TRANS-1,4-DIMETHYLCYCLOHEXANE 2207-04-7 729 0.000% 0.018% 0.111% 

3-ETHYLHEXANE 619-99-8 226 0.000% 0.027% 0.000% 

2,2,5-TRIMETHYLHEXANE 3522-94-9 121 0.495% 0.180% 0.283% 

CIS-1-METHYL-3-ETHYLCYCLOPENTANE #N/A 364 0.000% 0.000% 0.000% 

TRANS-1,2-DIMETHYLCYCLOHEXANE 6876-23-9 724 0.000% 0.024% 0.130% 

OCTANE 00111-65-9 604 0.000% 0.243% 0.788% 

TRANS-2-OCTENE 13389-42-9 741 0.000% 0.000% 0.072% 

2,3,5-TRIMETHYLHEXANE 1069-53-0 132 0.048% 0.000% 0.016% 

7 
Table 5 (cont.): Composite profile percentages with all compounds. 

Compound CAS Number Specie ID E0 E10 E15 

2,4-DIMETHYLHEPTANE 2213-23-2 148 0.187% 0.019% 0.074% 

CIS-1,2-DIMETHYLCYCLOHEXANE 2207-01-4 351 0.000% 0.033% 0.065% 

ETHYLCYCLOHEXANE 1678-91-7 450 0.013% 0.078% 0.278% 

2,6-DIMETHYLHEPTANE 1072-05-5 160 0.000% 0.000% 0.000% 

2,5-DIMETHYLHEPTANE 2216-30-0 155 0.000% 0.018% 0.098% 

3,3-DIMETHYLHEPTANE 4032-86-4 205 0.000% 0.000% 0.000% 

3,5-DIMETHYLHEPTANE 926-82-9 215 0.000% 0.018% 0.098% 

ETHYLBENZENE 100-41-4 449 1.683% 1.660% 1.258% 

2,3-DIMETHYLHEPTANE 3074-71-3 137 0.006% 0.000% 0.013% 

m-& p-XYLENE 1330-20-7 507 4.407% 4.347% 4.570% 

2-METHYLOCTANE 3221-61-2 198 0.081% 0.093% 0.362% 

3-METHYLOCTANE 2216-33-3 247 0.049% 0.040% 0.207% 

STYRENE 100-42-5 698 0.085% 0.083% 0.368% 

o-XYLENE 95-47-6 620 1.720% 1.697% 0.966% 

1-NONENE 124-11-8 106 0.063% 0.018% 0.095% 

TRANS-3-NONENE 20063-92-7 745 0.020% 0.000% 0.000% 

NONANE 111-84-2 603 0.283% 0.144% 0.557% 

ISOPROPYLBENZENE (CUMENE) 98-82-8 514 0.125% 0.123% 0.067% 

2,2-DIMETHYLOCTANE 15869-87-1 125 0.046% 0.154% 0.106% 

2,4-DIMETHYLOCTANE 4032-94-4 151 0.040% 0.099% 0.052% 

n-PROPYLBENZENE 103-65-1 608 0.406% 0.401% 0.219% 

1-METHYL-3-ETHYLBENZENE 620-14-4 89 1.367% 1.348% 1.156% 

1-METHYL-4-ETHYLBENZENE 622-96-8 94 0.616% 0.608% 0.545% 

1,3,5-TRIMETHYLBENZENE 108-67-8 44 0.629% 0.621% 0.506% 

1-METHYL-2-ETHYLBENZENE 611-14-3 80 0.518% 0.511% 0.505% 

1,2,4-TRIMETHYLBENZENE 95-63-6 30 1.159% 1.144% 1.319% 

1-DECENE 872-05-9 996 0.000% 0.000% 0.000% 

DECANE 124-18-5 598 0.000% 0.085% 0.130% 

ISOBUTYLBENZENE 538-93-2 3 0.039% 0.039% 0.119% 

METHYLPROPYLBENZENE (sec butylbenzene) 68411-44-9 499 0.000% 0.000% 0.058% 

1-METHYL-3-ISOPROPYLBENZENE 535-77-3 90 0.058% 0.057% 0.000% 

1,2,3-TRIMETHYLBENZENE 526-73-8 25 0.208% 0.205% 0.472% 

1-METHYL-4-ISOPROPYLBENZENE 99-87-6 97 0.018% 0.018% 0.000% 

INDAN 496-11-7 485 0.099% 0.110% 0.000% 

1-METHYL-2-ISOPROPYLBENZENE 527-84-4 81 0.016% 0.015% 0.067% 

1,3-DIETHYLBENZENE 141-93-5 51 0.286% 0.283% 0.018% 

1,4-DIETHYLBENZENE 105-05-5 59 0.068% 0.067% 0.000% 

1-METHYL-3-N-PROPYLBENZENE 1074-43-7 92 0.000% 0.000% 0.014% 

1-METHYL-4-N-PROPYLBENZENE 1074-55-1 100 0.000% 0.000% 0.000% 

1,2 DIETHYLBENZENE 135-01-3 36 0.053% 0.052% 0.064% 

1-METHYL-2-N-PROPYLBENZENE 1074-17-5 84 0.000% 0.000% 0.037% 

1,4-DIMETHYL-2-ETHYLBENZENE 1758-88-9 60 0.000% 0.000% 0.000% 

1,3-DIMETHYL-4-ETHYLBENZENE 874-41-9 53 0.000% 0.000% 0.000% 

1,2-DIMETHYL-4-ETHYLBENZENE 934-80-5 39 0.000% 0.000% 0.021% 

1,3-DIMETHYL-2-ETHYLBENZENE 2870-04-4 52 0.000% 0.000% 0.000% 

8 
Table 5 (cont.): Composite profile percentages with all compounds. 

Compound CAS Number Specie ID E0 E10 E15 

UNDECANE 1120-21-4 610 0.000% 0.009% 0.000% 

1,2,4,5-TETRAMETHYLBENZENE 95-93-2 28 0.118% 0.117% 0.000% 

2-METHYLBUTYLBENZENE (sec AMYLBENZENE) 538-68-1 83 0.000% 0.000% 0.000% 

3,4 DIMETHYLCUMENE #N/A 54 0.000% 0.000% 0.000% 

1,2,3,5-TETRAMETHYLBENZENE 527-53-7 23 0.155% 0.153% 0.000% 

TERT-1-BUT-2-METHYLBENZENE #N/A 1655 0.000% 0.000% 0.000% 

1,2,3,4-TETRAMETHYLBENZENE 488-23-3 22 0.095% 0.094% 0.000% 

N-PENT-BENZENE #N/A 606 0.000% 0.000% 0.000% 

TERT-1-BUT-3,5-DIMETHYLBENZENE #N/A 86 0.000% 0.000% 0.000% 

NAPHTHALENE 91-20-3 611 0.033% 0.033% 0.000% 

DODECANE 112-40-3 599 0.000% 0.000% 0.000% 

1,3,5-TRIETHYLBENZENE 102-25-0 43 0.000% 0.000% 0.000% 

UNIDENTIFIED C9-C12+ #N/A 327 0.272% 2.181% 1.331% 

FORMALDEHYDE 50-00-0 465 0.927% 0.874% 1.072% 

ACETALDEHYDE 75-07-0 279 0.453% 1.610% 2.232% 

ACROLEIN 107-02-8 283 0.094% 0.072% 0.083% 

ACETONE 67-64-1 281 0.419% 0.346% 0.498% 

PROPIONALDEHYDE 123-38-6 673 0.122% 0.054% 0.048% 

CROTONALDEHYDE 4170-30-3 382 0.026% 0.000% 0.000% 

ISOBUTYRALDEHYDE 78-84-2 2119 0.010% 0.014% 0.011% 

MEK 78-93-3 536 0.010% 0.014% 0.011% 

BENZALDEHYDE 100-52-7 301 0.253% 0.168% 0.113% 

ISOVALERALDEHYDE 590-86-3 517 0.060% 0.000% 0.000% 

VALERALDEHYDE 110-62-3 845 0.102% 0.045% 0.038% 

O-TOLUALDEHYDE 529-20-4 1467 0.040% 0.022% 0.034% 

M/P-TOLUALDEHYDE #N/A 2164 0.055% 0.043% 0.052% 

HEXANALDEHYDE #N/A 840 0.058% 0.037% 0.018% 

DIMETHYLBENZALDEHYDE #N/A 1712 0.019% 0.004% 0.050% 

METHANOL 67-56-1 531 1.405% 0.536% 0.000% 

ETHANOL 64-17-5 442 0.498% 3.806% 4.951% 

2-PROPANOL 67-63-0 513 1.009% 0.637% 0.000% 

9 
Appendix A: SPECIATE4 IDs from Spec4Asn-8-10-06.xls 

A-1 
SPECIATE4 IDs from Spec4Asn-8-10-06.xls 

Assignments for SPECIATE 4.0 081005R1.mdb. Rec'd from David Holoman 8/10/05. 

Version with unknowns represented by REPUNK-1 and unassigned compounds represented by 

REPNOA-1 mixtures Copied from EmitDB.XLS Master List assignments on 8/10/06 

Specie ID NAME Specie ID NAME 

1 (1-Methylpropyl)benzene 61 1,4-dioxane 

2 (2-methylbutyl)cyclohexane 62 1,4-isodipropylbenzene 

3 (2-methylpropyl)benzene 63 1-(1,1-dimethylethyl)-3,5-dimethylbenzene 

4 1,1,1-trichloroethane 64 1-butene 

5 1,1,2,2-tetrachloroethane 65 1-butyne 

6 1,1,2,3-tetramethylcyclohexane 66 1-decene, dimer, hydrogenated 

7 1,1,2-trichloroethane 67 1-ethyl-1,2-dimethylcyclohexane 

8 1,1,2-trimethylcyclohexane 68 1-ethyl-2,2,6-trimethylcyclohexane 

9 1,1,2-trimethylcyclopentane 69 1-ethyl-2,4-dimethylcyclohexane 

10 1,1,3,4-tetramethylcyclohexane 70 1-ethyl-2-methylcyclopentane 

11 1,1,3,5-tetramethylcyclohexane 71 1-ethyl-2-npropylbenzene 

12 1,1,3-trimethylcyclohexane 73 1-ethyl-3-methylcyclopentane 

13 1,1,3-trimethylcyclopentane 74 1-ethyl-4-isopropylbenzene 

14 1,1,4-trimethylcyclohexane 75 1-ethyltertbutylether 

15 1,1-dichloro-1-fluoroethane 76 1-heptene 

16 1,1-dichloroethane 77 1-hexanol 

17 1,1-dichloroethene (vinylidene chloride) 78 1-hexene 

18 1,1-dimethyl-2-propylcyclohexane 79 1-Methyl-1-ethylcyclohexane 

19 1,1-dimethylcyclohexane 80 1-Methyl-2-ethylbenzene 

20 1,1-dimethylcyclopentane 81 1-Methyl-2-isopropylbenzene 

21 1,1-Methylethylcyclopentane 82 1-Methyl-2-isopropylcyclohexane 

22 1,2,3,4-tetramethylbenzene 83 1-Methyl-2-n-butylbenzene 

23 1,2,3,5-tetramethylbenzene 84 1-Methyl-2-npropylbenzene 

24 1,2,3-trimethyl-4-ethylbenzene 85 1-Methyl-2-pyrrolidinone 

25 1,2,3-trimethylbenzene 86 1-Methyl-2-tert-butylbenzene 

26 1,2,3-trimethylcyclohexane 88 1-Methyl-3-butylbenzene 

27 1,2,3-trimethylcyclopentane 89 1-Methyl-3-ethylbenzene 

28 1,2,4,5-tetramethylbenzene 90 1-Methyl-3-isopropylbenzene 

29 1,2,4-triethylbenzene 91 1-Methyl-3-isopropylcyclohexane 

30 1,2,4-trimethylbenzene (1,3,4-trimethylbenzene) 92 1-Methyl-3-npropylbenzene 

31 1,2,4-trimethylcyclopentane 94 1-Methyl-4-ethylbenzene 

32 1,2,4-trimethylcyclopentene 95 1-Methyl-4-ethylcyclohexane 

33 1,2-butadiene (methylallene) 96 1-Methyl-4-isobutylbenzene 

34 1,2-dichloropropane 97 1-Methyl-4-isopropylbenzene 

35 1,2-diethyl-1-methylcyclohexane 98 1-Methyl-4-isopropylcyclohexane 

36 1,2-diethylbenzene (ortho) 99 1-methyl-4-n-pentylbenzene 

37 1,2-dimethyl-3-ethylbenzene 100 1-Methyl-4-npropylbenzene 

38 1,2-dimethyl-3-ethylcyclohexane 101 1-Methyl-4-t-butylbenzene 

39 1,2-dimethyl-4-ethylbenzene 103 1-Methylcyclopentene 

40 1,2-dimethylcyclopentane 104 1-Methylindan 

41 1,2-epoxybutane 105 1-Methylnaphthalene 

42 1,2-propadiene 106 1-nonene 

43 1,3,5-triethylbenzene 107 1-octene 

44 1,3,5-trimethylbenzene 108 1-pentene 

45 1,3,5-trimethylcyclohexane 109 1-propyne 

46 1,3-butadiene 110 2,2,3,3-tetramethylpentane 

47 1,3-butadiyne 111 2,2,3,trimethylhexane 

48 1,3-cyclopentadiene 112 2,2,3-trimethylbutane 

49 1,3-dichlorobenzene (m-dichlorobenzene) 113 2,2,3-trimethylpentane 

50 1,3-dichloropropene 114 2,2,4,6,6-pentamethylheptane 

51 1,3-diethylbenzene (meta) 115 2,2,4-trimethyl-1,3-pentanediol isobutyrate (texanol) 

52 1,3-dimethyl-2-ethylbenzene 116 2,2,4-trimethylheptane 

53 1,3-dimethyl-4-ethylbenzene 117 2,2,4-trimethylhexane 

54 1,3-dimethyl-4-isopropylbenzene 118 2,2,4-trimethylpentane 

55 1,3-dimethyl-5-ethylbenzene 120 2,2,5-trimethylheptane 

56 1,3-dioxolane 121 2,2,5-trimethylhexane 

57 1,3-dipropylbenzene 122 2,2-dimethylbutane 

58 1,3-n-dipropylbenzene 123 2,2-dimethylheptane 

59 1,4-diethylbenzene (para) 124 2,2-dimethylhexane 

60 1,4-dimethyl-2-ethylbenzene 125 2,2-dimethyloctane 

A-2 
Specie ID NAME 

126

127

128

129

130

131

132

133

134

135

136

137

138

139

140

141

142

143

144

145

146

147

148

149

150

151

152

153

154

155

156

157

158

159 

160

161

162

163 

164 

165

166

167 

168

169

170

171 

172 

173 

174 

175

176

177

178

179

180 

181

182

183

184

185

186 

187

188

189

190

191

192

193

194

 2,2-dimethylpentane 

 2,2-dimethylpropane 

 2,3,3-trimethylpentane 

 2,3,4-trimethylhexane 

 2,3,4-trimethylpentane 

 2,3,5-trimethylheptane 

 2,3,5-trimethylhexane 

 2,3-dimethyl-1-butene 

 2,3-dimethyl-2-octene 

 2,3-dimethyl-2-pentene 

 2,3-dimethylbutane 

 2,3-dimethylheptane 

 2,3-dimethylhexane 

 2,3-dimethyloctane 

 2,3-dimethylpentane 

 2,4,4-trimethyl-1-pentene 

 2,4,4-trimethyl-2-pentene 

 2,4,4-trimethylhexane 

 2,4,5-trichlorophenol 

 2,4,5-trimethylheptane 

 2,4-dimethyl-1-pentene 

 2,4-dimethyl-2-pentene 

 2,4-dimethylheptane 

 2,4-dimethylhexane 

 2,4-dimethylnonane 

 2,4-dimethyloctane 

 2,4-dimethylpentane 

 2,4-pentanedione 

 2,4-toluene diisocyanate 

 2,5-dimethylheptane 

 2,5-dimethylhexane 

 2,5-dimethylnonane 

 2,5-dimethyloctane 

2,6-dimethyldecane 

 2,6-dimethylheptane 

 2,6-dimethylnonane 

 2,6-dimethyloctane 

2,6-dimethylundecane 

2,7-dimethyldecane 

 2,7-dimethyloctane 

 2-(1-methylethoxy)phenol 

methylcarbamate (propoxur) 

2-(2-butoxyethoxy)ethanol (butyl carbitol) 

 2-(2-ethylhexyloxy)ethanol 

 2-amino-2-methyl-1-propanol 

 2-butyne 

2-chlorotoluene 

2-ethoxyethanol (cellosolve) (egee) 

2-ethoxyethyl acetate (cellosolve acetate) 

2-ethyl hexyl acetate 

 2-ethyl-1,3-dimethylcyclohexane 

 2-ethyl-1-butene 

 2-hexenes 

 2-methoxy-1-propanol 

 2-methoxy-1-propanol acetate 

2-methoxyethanol (methyl cellosolve) (egme) 

 2-methyl-1-butene 

 2-methyl-1-butyl acetate 

 2-methyl-1-octene 

 2-methyl-1-pentene 

 2-methyl-2-butene 

2-methyl-2-hexene 

 2-methyl-2-pentene 

 2-methyl-2-propenal 

 2-methyl-3-ethylpentane 

 2-methyl-trans-3-hexene 

 2-methyldecalin 

 2-methyldecane 

 2-methylheptane 

 2-methylhexane 

Specie ID NAME 

195 2-methylindan 

196 2-methylnaphthalene 

197 2-methylnonane 

198 2-methyloctane 

199 2-methylpentane 

200 2-methylundecane (isododecane) 

201 2-propenoic acid, 2-methyl dodecyl ester 

202 3,3,5-trimethylheptane 

203 3,3-dimethyl-1-butene 

204 3,3-dimethyl-1-pentene 

205 3,3-dimethylheptane 

206 3,3-dimethylhexane 

207 3,3-dimethyloctane 

208 3,3-dimethylpentane 

209 3,4-dimethyl-1-pentene 

210 3,4-dimethyl-2-pentene 

211 3,4-dimethylheptane 

212 3,4-dimethylhexane 

213 3,4-dimethyloctane 

214 3,5-dimethyl-1-hexyne-3-ol 

215 3,5-dimethylheptane 

216 3,5-dimethylnonane 

217 3,5-dimethyloctane 

218 3,6-dimethyloctane 

219 3,7-dimethylnonane 

220 3-ethyl-2-methylheptane 

221 3-ethyl-2-pentene 

222 3-ethyl-3-methyloctane 

223 3-ethyl-4-methylheptane 

224 3-ethyldecane 

225 3-ethylheptane 

226 3-ethylhexane 

227 3-ethylnonane 

228 3-ethyloctane 

229 3-ethylpentane 

230 3-methyl-1-butene 

231 3-methyl-1-hexene 

232 3-methyl-1-pentene 

233 3-methyl-3-ethylpentane 

234 3-methyl-3-methoxy-1-butanol 

235 3-methyl-cis-2-hexene 

236 3-methyl-cis-2-pentene 

237 3-methyl-cis-3-hexene 

238 3-methyl-trans-2-hexene 

239 3-methyl-trans-2-pentene 

240 3-methyl-trans-3-hexene 

242 3-methylcyclopentene 

243 3-methyldecane 

244 3-methylheptane 

245 3-methylhexane 

246 3-methylnonane 

247 3-methyloctane 

248 3-methylpentane 

249 3-methylundecane 

250 3-phenylpentane 

251 4,4-dimethyl-2-neopentyl-1-pentene 

252 4,4-dimethyl-2-pentene 

253 4,4-dimethylheptane 

254 4,5-dimethyldecane 

255 4,5-dimethyloctane 

256 4-ethyldecane 

257 4-methyl-1-hexene 

258 4-methyl-1-pentene 

259 4-methyl-2-pentanol (methyl isobutyl carbinol) 

260 4-methyl-cis-2-pentene 

261 4-methyl-trans-2-hexene 

262 4-methyl-trans-2-pentene 

263 4-methyldecane 

264 4-methylheptane 

265 4-methylindan 

A-3 
Specie ID NAME Specie ID NAME 

266 4-methylnonane 349 Cis,trans-1,2,3-trimethylcyclohexane 

267 4-methyloctane 350 Cis,trans-1,2,4-trimethylcyclohexane 

268 4-methylundecane 351 Cis-1,2-dimethylcyclohexane 

269 5-isopropylnonane 352 Cis-1,3-dimethylcyclohexane 

270 5-methyl-1-hexene 353 Cis-1,3-dimethylcyclopentane 

271 5-methyl-cis-2-hexene 354 Cis-1,4-dimethylcyclohexane 

272 5-methyldecane 355 Cis-1,cis-2,3-trimethylcyclopentane 

273 5-methylindan 356 Cis-1,cis-3,5-trimethylcyclohexane 

274 5-methylnonane 357 Cis-1,trans-2,3-trimethylcyclopentane 

275 5-methylundecane 358 Cis-1,trans-2,4-trimethylcyclopentane 

276 6-ethyl-2-methyloctane 359 Cis-1,trans-2,trans-4-trimethylcyclohexane 

277 6-methylundecane 360 Cis-1-2-dimethylcyclopentane 

279 Acetaldehyde 361 Cis-1-ethyl-2-methylcyclohexane 

280 Acetic acid 362 Cis-1-ethyl-2-methylcyclopentane 

281 Acetone 363 Cis-1-ethyl-3-methylcyclohexane 

282 Acetylene 364 Cis-1-ethyl-3-methylcyclopentane 

283 Acrolein (2-propenal) 365 Cis-1-ethyl-4-methylcyclohexane 

284 Acrylamide 367 Cis-2-butene 

285 Acrylonitrile 368 Cis-2-heptene 

286 Aggregate ingredients 369 Cis-2-hexene 

287 Aggregated VOCs 370 Cis-2-octene 

288 Aggregated exempt compounds 371 Cis-2-pentene 

289 Aliphatic solvent 372 Cis-3-hexene 

290 Aliphatics 373 Cis-3-nonene 

291 Alkene ketone 374 Cis-bicyclo[3.3.0]octane 

293 Amines, polyethylene poly compounds w/succinic 375 Cis-bicyclo[4.3.0]nonane 

295 Amyl acetate 376 Cis-decalin 

297 Aromatic 200 solvent 377 Citrus lemon peel oil 

299 B-methylstyrene 378 Citrus terpene 

301 Benzaldehyde 381 Cresylic acid (mixed cresols) 

302 Benzene 382 Crotonaldehyde 

303 Benzene derivates 383 Cumene hydroperoxide 

304 Benzothiazole 384 Cyclohexamine 

305 Benzoyl peroxide 385 Cyclohexane 

306 Benzyl alcohol 386 Cyclohexanol 

308 Bromodichloromethane 387 Cyclohexanone 

309 Butane, branched & linear 388 Cyclohexene 

310 Butyl cellosolve (2-butoxyethanol) (egbe) 389 Cyclomethicone (a vms) 

311 Butylbenzylphthalate 390 Cyclopentane 

312 Butylcyclohexane 391 Cyclopentene 

313 Butyraldehyde 392 D-limonene (4-isopropenyl-1-methylcycohexane) 

314 C10 alkylphenols 393 Decabromodiphenyl oxide 

315 C10 aromatics 394 Di(2-ethylhexyl)phthalate 

316 C10 internal alkenes 395 Di(propylene glycol) methyl ether 

317 C11 alkylphenols 396 Diacetone 

318 C11 dialkyl benzenes 398 Dibutyl phthalate 

319 C11 internal alkenes 399 Dichlorobenzene (mixed isomers) 

320 C12 dialkyl benzenes 400 Dichlorodifluoromethane 

321 C12 internal alkenes 401 Dichloromethane (methylene chloride) 

322 C3-c4 alkane propellant 402 Diethanolamine 

323 C5 aldehyde 403 Diethyl aminoethanol 

324 C6 aldehydes 404 Diethylamine 

325 C8 cycloparaffins 405 Diethylcyclohexane 

326 C9 aromatics 406 Diethylene glycol 

327 C9-c12 isoalkanes 407 Diethylene glycol butyl ether acetate 

330 Camphor (2-2-(butoxyethoxy)ethyl acetate) 

331 Carbitol (degee) (2-(2-ethoxyethoxy)ethanol) 408 Diethylmethylcyclohexanes 

332 Carbon disulfide 409 Diglycidyl resorcinol ether (dgre) 

333 Carbon tetrachloride 410 Dihydronaphthalene 

335 Carbonyl sulfide 411 Diisobutyl ketone 

336 Chlorafin 412 Diisopropyl adipate 

338 Chlorinated paraffin 413 Diisopropylene glycol 

340 Chlorobenzene 414 Dimethoate 

341 Chlorodifluoromethane 415 Dimethoxymethane 

342 Chlorofluorohydrocarbons 416 Dimethoxypropane 

343 Chloroform 417 Dimethyl ether 

344 Chloropicrin 418 Dimethyl formamide 

345 Chlorothalonil 419 Dimethyl phthalate 

346 Chlorpyrifos 420 Dimethyl succinate 

348 Cis,cis-1,2,4-trimethylcyclohexane 421 Dimethyl sulfide 

A-4 
Specie ID NAME Specie ID NAME 

422 Dimethyl sulfoxide 495 Isobutylcyclohexane 

423 Dimethylbenzylalcohol 496 Isobutylcyclopentane 

424 Dimethylbutylcyclohexane 497 Isobutylene 

425 Dimethylcyclopentane 498 Isocyanate 

426 Dimethyldecane 499 Isomers of butylbenzene 

427 Dimethylethylcyclohexane 500 Isomers of decane 

428 Dimethylheptanes 501 Isomers of decyne 

429 Dimethylnonane 502 Isomers of diethylbenzene 

430 Dimethylundecane 503 Isomers of dodecane 

431 Dimethyoctyne diol 504 Isomers of tridecane 

432 Dipropylene glycol 505 Isomers of undecane 

433 Dipropylene glycol dimethyl ether (mixed isomers) 506 Isomers of undecyne 

434 Mineral spirits 507 Isomers of xylene 

435 Dl-limonene (dipentene) 508 Isopentane 

437 Eptc (s-ethyl dipropylthiocarbamate) 509 Isophorone diamine 

438 Ethane 510 Isophorone (3,5,5-trimethyl-2-cyclohexenone) 

439 Ethanolamine 511 Isoprene 

440 Ethyl acetate 512 Isopropyl acetate 

441 Ethyl acrylate 513 Isopropyl alcohol 

442 Ethyl alcohol 514 Isopropylbenzene (cumene) 

443 Ethyl chloride 515 Isopropylcyclohexane 

444 Ethyl cyanoacrylate 516 Isopropylmethylcyclohexane 

445 Ethyl ether 517 Isovaleraldehyde 

446 Ethyl mercaptan 518 Kerosene 

447 Ethyl propylcyclohexanes 521 Lemon oil 

448 Ethyl-3-ethoxypropionate 522 M & p-xylene 

449 Ethylbenzene 523 M-cresol (3-methyl-benzenol) 

450 Ethylcyclohexane 524 M-xylene 

451 Ethylcyclopentane 527 Menthol 

452 Ethylene 529 Methane 

453 Ethylene dibromide 530 Methoxypropanol acetate 

454 Ethylene dichloride (straight; possibly used for pgmea) 

455 Ethylene glycol 531 Methyl alcohol 

456 Ethylene glycol butyl ether acetate 532 Methyl amyl ketone 

(2-butoxyethyl acetate) 533 Methyl bromide 

457 Ethylene glycol methyl ether acetate 534 Methyl carbitol (2-(2-methoxyethoxy)ethanol) (degme) 

 (methyl cellosolve acetate) 535 Methyl chloride 

458 Ethylene glycol propyl ether (2-propoxyethanol) 536 Methyl ethyl ketone (2-butanone) 

459 Ethylene oxide 537 Methyl ethyl ketoxime 

461 Ethylmethylcyclohexanes 538 Methyl hexane 

462 Ethylmethylhexane 539 Methyl isobutyl ketone 

463 Ethyloctane 540 Methyl mercaptan 

464 Ethyltoluenes (methylethylbenzenes) 541 Methyl methacrylate 

465 Formaldehyde 542 Methyl n-butyl ketone 

466 Formic acid 543 Methyl pentylcyclohexane 

467 Fragrances 544 Methyl propyl ketone (2-pentanone) 

469 Gamma- butyrolactone 545 Methyl propylcyclohexanes 

470 Glutaraldehyde (a dialdehyde) 546 Methyl salicylate (an ester) 

471 Glycerol 547 Methyl styrene (mixed) (vinyl toluene) 

472 Glyceryl triacetate 548 Methyl t-butyl ether 

473 Glycol ether dpnb 550 Methylcyclohexane 

(1-(2-butoxy-1-methylethoxy)-2-propanol) 551 Methylcyclopentane 

474 Glycolic acid (hydroxyacetic acid) 552 Methyldecalins 

475 Glycols 553 Methyldecene 

476 Glyphosate, isopropylamine salt 554 Methylene(b)4-phenylisocyanate 

478 HFC-152a (methylene diphenyl diisocyanate) 

479 Hexachlorobenzene 555 Methylenediphenylisocyanate polymeric 

480 Hexylcyclohexane 556 Methylnaphthalenes 

481 Hexylcyclopentane 557 Methyltri(ethylmethylketoxime) silane 

482 Hexylene glycol (2-methyl-2,4-pentanediol) 558 Methyltrimethoxysilane 

483 Hydrocarbon propellant (LPG, sweetened) 559 Methylvinylbis(n-methylacetamido) silane 

484 Hydrocarbon propellant (LPG) 560 Mineral oil 

485 Indane 561 Misc. acetates and esters (TOG portion) 

486 Indene 562 Misc. acids 

489 Isoamyl acetate 563 Misc. alcohols 

490 Isobornyl acetate (2-camphanyl acetate) 564 Misc. alkyd, acrylic, and related resins (TOG portion) 

491 Isobutane 565 Misc. amines 

492 Isobutyl acetate 566 Misc. asphalt mixtures (TOG portion) 

493 Isobutyl alcohol 567 Misc. copolymers, surfactants, resins (TOG portion) 

494 Isobutyl isobutyrate 568 Misc. esters 

A-5 
Specie ID NAME Specie ID NAME 

569 Misc. ethyleneamines 642 Other, misc. exempt compounds aggregated in profile 

570 Misc. glycol ethers and acetates 643 Oxo-hexyl acetate 

571 Misc. glycols, glycol ethers, and acetates 644 Oxydemeton-methyl 

572 Misc. hydrocarbon propellants 645 Oxyfluorfen 

573 Misc. hydrocarbon resins (TOG portion) 646 P-cresol (4-methyl-benzenol) 

574 Misc. lvp VOC distillates 647 P-dichlorobenzene 

575 Misc. oils - linseed/tung/soy/etc. (TOG portion) 648 P-xylene 

576 Misc. oxygenated compounds 650 Panthenol 

577 Misc. proprietary VOC 651 Par 

578 Misc. silanes 652 Parachlorobenzotrifluoride 

579 Misc. styrene-containing material (TOG portion) 653 Pebulate 

580 Misc. trimethylbenzenes 654 Pendimethalin 

581 Misc. urethane-containing material (TOG portion) 655 Pentamethylbenzene 

582 Misc. vinyl/acrylic and other copolymers 656 Pentanedioic acid, dimethyl ester 

(TOG portion) 657 Pentylcyclohexane 

583 Misc./other VOC 658 Pentylcyclopentane 

584 Methyl isothiocyanate 659 Pentylindenecyclohexane 

585 Molinate 660 Peracetic acid 

587 Monoisopropanolamine (1-amino-2-propanol) 661 Perchloroethylene 

588 Monoterpenes 662 Perfluorocarbons c5/c6 

589 Morpholine 663 Phenol (carbolic acid) 

590 N,n-dimethylethanolamine 664 Phenoxyethanol 

591 N-(trichloromethylthio)phthalimide (folpet) 667 Pine oil 

592 N-butane 668 Polyethylene glycol 200 

593 N-butyl acetate 671 Propane 

594 N-butyl acrylate 672 Propenylcyclohexane 

595 N-butyl alcohol 673 Propionaldehyde 

596 N-butylbenzene 674 Propyl acetate 

597 N-butylcyclopentane 675 Propyl heptene 

598 N-decane 676 Propylcyclohexane 

599 N-dodecane 677 Propylcyclopentane 

600 N-heptane 678 Propylene 

601 N-hexane 679 Propylene carbonate 

602 N-hexylbenzene 680 Propylene glycol 

603 N-nonane 681 Propylene glycol butyl ether (1-butoxy-2-propanol) 

604 N-octane 682 Propylene glycol methyl ether (1-methoxy-2-propanol) 

605 N-pentane 683 Propylene glycol monoethyl ether 

606 N-pentylbenzene (1-ethoxy-2-propanol) 

607 N-propyl alcohol 684 Propylene glycol monomethyl ether acetate 

608 N-propylbenzene (2-(1-methoxy)propyl acetate) 

609 N-tridecane 685 Propylene glycol n-propyl ether 

610 N-undecane 686 Propylene glycol t-butyl ether

611 Naphthalene (1-(1,1,-dimethylethoxy)-2-propanol) 

614 Nitromethane 687 Propylene oxide 

616 Nonadiene 688 Raw linseed oil 

617 Nonylphenoxypoly(ethyleneoxy)ethanol 690 S-pentylbenzene 

(tergitol np-33) (triton(r) n-101) 691 Santosol dimethyl ester 

618 O-cresol (2-methyl-benzenol) 692 Sec-butyl alcohol 

619 O-dichlorobenzene 698 Styrene 

620 O-xylene 701 T-amylmethylether 

621 Octahydroindenes 702 T-butyl acetate 

622 Octahydropentalene 703 T-butylbenzene 

623 Octanol 704 T-decahydronaphthalene 

624 Orange oil 705 Terpene 

625 Orange terpenes 706 Tert-butyl alcohol 

627 Oryzalin 707 Tetrahydrofuran 

628 Other C10 708 Tetrahydrofurfuryl alcohol 

629 Other C11 709 Tetramethylcyclopentane 

630 Other C12 710 Tetramethylpentanone 

631 Other C13 711 Tetramethylthiourea 

632 Other C14 713 Thiobencarb 

633 Other C7 716 Tolualdehyde 

634 Other C8 717 Toluene 

635 Other C9 718 Toluene diisocyanates (mixed isomers) 

636 Other exempt propellants 719 Total aggregate organic ingredients 

637 Other glycol ethers 720 Trans,cis-1,2,4-trimethylcyclohexane 

638 Other, lumped VOCs, individually < 2% of category 721 Trans,trans-1,2,4-trimethylcyclohexane 

639 Other, lumped exempts, individually < 2% of category 722 Trans,trans-1,3,5-trimethylcyclohexane 

640 Other, misc. VOC 723 Trans-1,2-dichloroethene 

641 Other, misc. VOC compounds aggregated in profile 724 Trans-1,2-dimethylcyclohexane 

A-6 
Specie ID NAME 

725

726

727

728

729

730

732

733

734

736

737

738

739

740

741

742

743

744

745

746

747

748

749

750

751 

752 

753 

754

755 

756

757

758

759 

760 

761 

763

766

768 

769

770 

771

772

773 

774 

775

776

839

840

845 

846

847

849

852 

854 

855

857

858

859

860

864

867

868

873 

877

879

880

881

882

883

884

 Trans-1,2-dimethylcyclopentane 

 Trans-1,3-dimethylcyclohexane 

 Trans-1,3-dimethylcyclopentane 

 Trans-1,3-pentadiene 

 Trans-1,4-dimethylcyclohexane 

 Trans-1,cis-2,3-trimethylcyclopentane 

 Trans-1-ethyl-2-methylcyclohexane 

 Trans-1-ethyl-3-methylcyclohexane 

 Trans-1-ethyl-3-methylcyclopentane 

 Trans-1-methyl-3-ethylcyclopentane 

 Trans-2-butene 

 Trans-2-ethylmethylcyclopentane 

 Trans-2-heptene 

 Trans-2-hexene 

 Trans-2-octene 

 Trans-2-pentene 

 Trans-3-heptene 

 Trans-3-hexene 

 Trans-3-nonene 

 Trans-4-octene 

 Trichloroethylene 

 Trichlorofluoromethane 

 Trichlorotrifluoroethane-F113 

 Triethanolamine 

Triethylamine 

Triethylenetetramine 

Trifluralin 

 Triisopropanolamine 

Trimethylbenzenes (mixed) 

 Trimethylcyclohexane 

 Trimethylcyclohexanol 

 Trimethylcyclopentanone 

Trimethylhexene 

Trimethyloctanes 

Turpentine 

 Unidentified nonfumigant active ingredients 

 Urethane prepolymer 

Vinyl acetate 

 Vinyl chloride 

Vinylacetylene 

 Vinyltrimethoxysilane 

 Voc ingredients 

Volatile methyl siloxanes 

Witch hazel 

 Xylene range solvent 

 Xylenol 

 Glyoxal 

 Hexaldehyde 

Valeraldehyde 

Acenaphthene 

 Acenaphthylene 

 Anthraquinone 

Anthracene 

Benz(a)anthracene 

 Benzo[a]pyrene BaP 

 Benzo[e]pyrene (BeP) 

 Benzo(ghi)perylene 

 Bibenzyl 

 Biphenyl 

 Benzo(c)phenanthrene 

 Chrysene 

 Coronene 

Dibenzofuran , also noted as "DBZFUR" 

 1,2-dimethylnaphthalene 

 2,6&2,7-dimethylnaphthalene 

 1&2-ethylnaphthalene 

 9-fluorenone 

 Fluoranthene 

 Fluorene 

 Indeno[123-cd]pyrene 

Specie ID NAME 

885 1-methylfluorene 

886 1-methylphenanthrene 

887 1-Methylpyrene 

889 2-methylphenanthrene 

890 3-methylbiphenyl 

895 9-methylanthracene 

898 1-phenylnaphthalene 

901 Perylene 

902 Phenanthrene 

903 Perinaphthenone 

904 Pyrene 

905 Retene 

908 2,3,5-trimethylnaphthalene 

909 Xanthone 

934 Acetovanillone-TMS , also noted as "acetva" 

935 4-allyl-guaiacol-TMS , also noted as "a4gucl" 

937 Benzoic acid-TMS 

941 Decanoic acid-TMS 

947 Guaiacol-TMS 

950 Hexanoic acid-TMS 

951 Hexanedioic acid-TMS 

952 Isoeugenol-TMS , also noted as "isoeug" 

954 Lauric acid-TMS 

956 4-me-guaiacol-TMS , also noted as "m4gucl" 

957 4-methyl-syringol-TMS , also noted as "m4syrg" 

958 Myristic acid-TMS 

959 Nonadecanoic acid-TMS 

961 Palmitic acid-TMS 

962 Pentadecanoic acid-TM 

966 Stearic acid-TMS 

967 Succinic acid-TMS 

968 Syringaldehyde-TMS 

969 Syringol-TMS , also noted as "syrgol" 

970 Tridecanoic acid-TMS 

976 Acetophenone 

977 Beta-pinene 

981 Butylbenzene 

996 1-decene 

997 Decanal 

998 2-decanone 

1001 1,2-dihydronaphthalene 

1002 1,3-diisopropylbenzene 

1003 1,4-diisopropylbenzene 

1007 Dodecene 

1013 2,3-benzofuran 

1018 Heptanal 

1020 Hexyl acetate 

1028 5-isopropyl-m-xylene 

1042 Eicosane 

1043 Heptadecane 

1045 Hexadecane 

1047 Nonadecane 

1048 Octadecane 

1049 Pentadecane 

1051 Tetradecane 

1057 Nonanal 

1065 Octanal 

1079 1,2,3,4-tetrahydronaphthalene 

1082 1-undecene 

1083 Alpha-pinene 

1093 1-butene + isobutene 

1098 1,2,4-trimethylbenzene+t-butylbenzene 

1118 1,3-hexadiene (trans) 

1153 3-methyl-2-pentene 

1165 Carbon monoxide 

1167 2-Methylfluorene 

1168 Methylphenanthrene 

1169 Dimethylphenanthrenes 

1170 Triphenylene 

1171 Benzo[b]fluoranthene 

A-7 
Specie ID NAME 

1172

1173

1462

1463

1464

1465

1466

1467

1468

1469

1470 

1471

1472

1473

1474

1475

1476

1477 

1478

1479

1480

1481

1482 

1484

1485

1486 

1487

1488

1489 

1490

1491 

1492

1493

1494

1495

1496

1497

1498 

1499 

1500 

1501

1502

1503

1504

1505

1506

1507

1508

1509

1510

1511

1512

1513

1514

1515

1516

1517

1518

1519

1520

1521

1522

1523

1524

1525 

1526

1527 

1528

1529 

1530

 Benzo[ghi]fluoranthene 

 Cyclopenta[cd]pyrene 

 p-Tolualdehyde 

 Biacetyl 

 Methylglyoxal 

1-Dodecene 

1-Tridecene 

 o-Tolualdehyde 

 2,5-Dimethylaldehyde 

 2,2-Dimethyl-3-ethylpentane 

Cyclohexane, 1-ethyl-4-methyl-, cis 

 4-ethylheptane 

 Cis,trans,cis-1,2,3-Trimethylcyclohexane 

 Cyclohexane, 1-methyl-3-(1-methylethyl)­

 trans-1-methyl-3-propylcyclohexane 

 Cis-1-methyl-3-propylcyclohexane 

 1-isopropyl-2-methylcyclohexane 

Cyclohexane, 1,2,4-trimethyl-, (1a,2ß,4a)­

 1-ethyl-trans-3-methylcyclohexane 

 Bicyclo[3.3.1]nonane 

 Cis,cis,cis-1,2,3-trimethylcyclohexane 

 Pentane, 3,3-diethyltrans octahydro Indene 

 Cyclohexane, 1-ethyl-2,3-dimethyl 

 Cyclohexane, 1,1,2,3-tetramethyl 

Cyclohexane, 1-methyl-4-propyl, trans 

 Nonane, 3-ethyl 

 Heptane, 2,3,4-trimethyl 

Cyclohexane, 1,2,3-trimethyl, cct 

 1-methyl-2-propyl cyclopentane 

Cyclohexane, 1,3-diethyl, cis 

 4-ethyl Nonane 

 4,6-dimethyl decane 

 2,8-dimethyl decane 

 2,9-dimethyl decane 

 1,2,3-trimethyl-5-ethyl benzene 

 2,7-dimethyl decane 

Cyclohexane, 1,2-diethyl, trans 

Cyclohexane, 1,3-diethyl, trans 

Cyclohexane, 1-methyl-4-propyl, cis 

 u-Paraffin, C10 

 u-Paraffin, C9 

 c-Paraffin, C10 

 i-Paraffin, C10 

 i-Paraffin, C11 

 u-Paraffin, C11 

 u-Paraffin, C12 

 c-Paraffin, C11 

 2,3-Dimethyl decane 

 2,4-dimethyl decane 

 2,5-dimethyl decane 

 decahydro-2-methyl naphthalene 

 2-methyl dodecane 

 3-methyl dodecane 

 5-methyl dodecane 

 4-methyl dodecane 

 5-ethyl decane 

 3,6-dimethyl decane 

 1-Decene, 8-ethyl 

 4,7-dimethyl decane 

 3,7-dimethyl decane 

 3,8-dimethyl decane 

 5-ethyl nonane 

 i-Paraffin,C13 

Cyclohexane, 1,2-diethyl, cis 

 Undecane, 3-ethyl 

Cyclohexane, 1,4-diethyl, trans 

 Undecane, 5-ethyl 

Cyclohexane, 1,4-diethyl, cis 

 Undecane, 2,6,10-trimethyl 

Specie ID NAME 

1531 c-Paraffin, C12 

1532 u-Paraffin, C13 

1533 i-Paraffin, C12 

1535 Cyclohexane, 1,2,4-trimethyl1536 Cyclopentane, 1-ethyl-3-methyl-, cis1537 cis,trans,cis-1,2,3-trimethyl Cyclopentane 

1538 Cyclopentane, (1-methylethyl)­

1539 Hexane, 2,4-dimethyl 

1540 Cis,trans,cis-1,2,4-trimethyl Cyclopentane 

1541 1,3-diethyl, trans cyclopentane 

1542 c-Paraffin, C7 

1543 i-Paraffin, C7 

1544 c-Paraffin, C8 

1545 u-Paraffin, C8 

1546 4-Ethyloctane 

1547 p-xylene, 2-propyl1548 5-propyl-m-xylene 

1549 Cyclohexane, 2-ethyl-1,3-dimethyl 

1550 4,5-dimethyl decane 

1551 Cyclohexane, 1-methyl-2-propyl, trans 

1552 3,5-dimethyl decane 

1553 c-Paraffin, C9 

1554 4-propyl-o-xylene 

1555 4-propyl-m-xylene 

1556 1,3-Diethyl-4-methylbenzene 

1557 4,7-dimethyl-2,3,dihydro-1-h-indenes 

1558 3,5-Diethyltoluene 

1560 Unknown C10 Aromatics 

1561 Dimethyl indan 

1562 1-ethyl-2,4,5-trimethyl benzene 

1563 toluene, 3,4-diethyl1564 1-ethyl-2,3,5-trimethyl benzene 

1565 2-ethyl-1,3,4-trimethyl benzene 

1566 Dimethyl, isopropyl benzene 

1567 Unknown C11 Aromatics 

1569 Ethyl isopropyl benzene 

1572 2-ethyl-mesitylene 

1573 1,2-dimethyl-3-propyl benzene 

1574 1,3-diethyl-2-methyl benzene 

1575 2-ethenyl-1,4-dimethyl benzene 

1576 1,3-dimethyl-2-propyl benzene 

1577 1,2-dimethyl-4-ethenyl benzene 

1578 Cyclopentane, 1,2,4-trimethyl-,

 (1.alpha.,2.alpha.,4.beta.)­

1579 Cyclohexane, 1-ethyl-2,4-dimethyl 

1580 Cyclohexane, 1-methyl-2-propyl, cis 

1581 3-ethyl-1,2,4-trimethyl benzene 

1582 Unknown C12 Aromatics 

1583 4-ethyl decane 

1584 1-Decene, 6-ethyl 

1585 1-Decene, 4-ethyl 

1586 trans-1-Ethyl-2-methyl-cyclopentane 

1587 2,6-Dimethyl-1-heptene 

1588 1,1,3,3-Tetramethylcyclopentane 

1589 Hexane, 3-ethyl-3-methyl1590 Cis-1,1,3,4-tetramethylcyclopentane 

1591 1-Nonene, 7-methyl 

1592 Bicyclo[3.2.1]octane 

1593 i-Paraffin, C9 

1594 Cis-1,2,trans-1,4-1,2,4-trimethylcyclohexane 

1595 N-heneicosane 

1596 N-docosane 

1597 n-Tricosane 

1598 n-Tetracosane 

1599 n-Pentacosane 

1600 N-hexacosane 

1601 N-heptacosane 

1602 Octacosane 

1603 n-Nonacosane 

1604 n-Triacontane 

A-8 
Specie ID NAME Specie ID NAME 

1605 N-hentriacontane 1678 5-ethyldihydro-2(3H)-furanone 

1606 Dotriacontane 1679 5-propyldihydro-2(3H)-furanone 

1607 n-Tritriacontane 1680 Nitrite 

1608 n-Tetratriacontane 1681 squalene 

1609 Methylfluoranthene 1682 9-Hexadecenoic acid 

1610 Benzo[k]fluoranthene 1683 9,12-Octadecadienoic acid 

1611 1,8-Naphthalic anhydride 1684 5-heptyldihydro-2(3H)-furanone 

1612 Methylguaicol 1685 5-octyldihydro-2(3H)-furanone 

1613 Ethylguaicol 1686 5-nonyldihydro-2(3H)-furanone 

1614 Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester 1687 5-decyldihydro-2(3H)-furanone 

1615 Coniferaldehyde 1688 5-undecyldihydro-2(3H)-furanone 

1616 propiovanillone 1689 5-dodecyldihydro-2(3H)-furanone 

1617 Octanoic acid 1690 2,6,10-Trimethyldodecane 

1618 Nonanoic acid 1691 norfarnesane 

1619 Undecanoic acid 1692 2,6,10-trimethyltridecane 

1620 Heptadecanoic acid 1693 norpristane 

1621 pentacosanoic acid 1694 N-Nonylcyclohexane 

1622 Hexacosanoic acid 1695 Cyclohexane, decyl1623 Octanedioic acid 1696 C2-fluorene 

1624 Decanedioic acid 1697 3-methyl-phenanthrene 

1625 Palmitoleic acid 1698 Anthracene, 2-methyl1626 Oleic acid 1699 9-methylphenanthrene 

1628 Pimaric acid 1700 C2-MW 178 PAH 

1629 Sandaracopimaric acid 1701 C3-MW 178 PAH 

1630 Isopimaric acid 1702 Acephenanthrylene 

1631 Benzocaine 1703 C1-MW 202 PAH 

1632 sitostenone 1704 Pristane 

1633 Guaicyl acetone 1705 Phytane 

1634 Homovanillic Acid 1706 C3-naphthalenes 

1635 Vanillin 1707 C4-naphthalenes 

1636 Heptacosanoic acid 1708 N-Pentadecylcyclohexane 

1637 Octacosanoic acid 1709 8B,13a-dimethyl-14B-n-butylpodocarpane 

1638 Triacontanoic acid 1710 8B,13a-dimethyl-14B-[3'-methylbutyl]podocarpane 

1639 nonacosanoic acid 1711 M- & p-tolualdehyde 

1640 Alpha-Amyrin 1712 2,5-Dimethylbenzaldehyde 

1641 Beta-Amyrin 1713 1-Indanone 

1642 Glycerol Monopalmitate 1714 Dibenzothiophene 

1643 Glycerol monooleate 1715 Dibenzothiazine 

1644 1,2,3-Trimethoxybenzene 1716 Cyclohexane, undecyl1645 Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)- 1717 Dodecylcyclohexane 

1646 sinapinaldehyde 1718 tridecylcyclohexane 

1647 n-Pentatriacotane 1719 N-tetradecyIcyclohexane 

1648 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- 1720 C1-MW 228 PAH 

1649 3-Ethylpentene 1721 C1-MW 226 PAH 

1650 Danitol 1722 Benzo[j]fluoranthene 

1651 2-Butene 1723 Indeno[1,2,3-cd]fluoranthene 

1652 Methylindane 1724 22,29,30-trisnorneohopane 

1654 Cis-2-Nonene 1725 17a(H),21B(H),29-norhopane 

1655 t-1-Butyl-2-Methylbenzene 1726 17a(H),21B(H)-hopane 

1656 2-Butanone, 3,3-dimethyl- 1727 Octadecanedioic acid 

1658 Undecanal 1728 nonadecanedioic acid 

1659 Dodecanal 1729 Methylbenzoic acid 

1660 Tridecanal 1730 HexadecyIcyclohexane 

1661 tetradecanal 1731 Heptadecylcyclohexane 

1662 Pentadecanal 1732 octadecylcyclohexane 

1663 Hexadecanal 1733 Cyclohexane, nonadecyl1664 Heptadecanal 1734 Eicosylcyclohexane 

1665 2-Nonanone 1735 Heneicosylcyclohexane 

1666 2-Undecanone 1736 20S-13B(H),17a(H)-diacholestane 

1667 2-Tridecanone 1737 20R-13B(H),17a(H)-diacholestane 

1668 2-Pentadecanone 1738 17a(H)-22,29,30-trisnorhopane 

1669 2-tetradecanone 1739 22R&S,17a(H),21B(H)-30-homohopane 

1670 Furfural 1740 22R&S,17a(H),21B(H)-30-bishomohopane 

1671 trans-2-Decenal 1741 20R-5a(H),14B(H),17B(H)-cholestane 

1672 2-undecenal 1742 20S-5a(H),14B(H),17B(H)-cholestane 

1673 Heptanoic acid 1743 20R-5a(H),14a(H),17a(H)-cholestane 

1674 Heptadecan-2-one 1744 20R&S-5a(H),14B(H),17B(H)-ergostane 

1675 5-butyldihydro-2(3H)-furanone 1745 20R&S-5a(H),14B(H),17B(H)-sitostane 

1676 5-pentyldihydro-2(3H)-furanone 1746 P-diethylbenzene & n-butylbenzene 

1677 5-hexyldihydro-2(3H)-furanone 1747 2-methylfuraldehyde 

A-9 
Specie ID NAME 

1748

1749

1750

1751

1752 

1753

1754

1755

1756

1757

1758

1759

1760

1762

1763

1764

1765

1766

1767

1768

1770

1772

1773

1774

1775

1776

1777

1778

1779

1780

1781

1782

1783

1784

1785

1786

1787

1788

1789

1790

1792

1793

1794

1795

1796

1797

1798

1799

1800

1801

1802 

1803

1804

1805

1806

1807

1808

1809

1810

1811

1812

1813

1814

1815

1816 

1817

1818

1819

 Hydroxymethylfurfural 

 3,4-Dimethoxybenzoic acid 

 1,2-dimethoxy-4-methyl benzene 

 2-oxobutanal 

Phenol, 2-methoxy-4-(1-propenyl)-, 

(E)- ; trans-isoeugenol 

 Phenol, 2-methoxy-4-propyl­

 Phenol, 4-ethyl-2-methoxy­

 1,2-Benzenediol 

 Hydroquinone 

 Resorcinol 

 4-hydroxy benzeneethanol 

 1,6-Dimethylnaphthalene 

 Phenol, 2,6-dimethyl­

 Hydroxybenzaldehydes 

 Guaiacyl acetone 

 4-ethylsyringol 

 4-propylsyringol 

 allylsyringol 

 4-propenylsyringol 

 syringyl acetone 

 Dibenzo[def,mno]chrysene; anthanthrene 

 n-pentacosanoic acid 

 N-hexacosanoic acid 

 n-9-octadecenoic acid 

 n-9,12-octadecadienoic acid 

 8,15-pimaradien-18-oic acid 

 Benzaldehyde, 3,4-dimethoxy­

 propionylsyringol 

 Butyrylsyringol 

 sinapylaldehyde 

 n-tetracosanoic acid 

 other sugars 

 7-oxodehydroabietic acid 

 abieta-6,8,11,13,15-pentaen-18-oic acid 

 abieta-8,11,13,15-tetraen-18-oic acid 

Dodecenal 

tridecenal 

Tetradecenal 

pentadecenal 

2-heptadecanone 

 9,12-octadecadienoic acid (linoleic) 

 9,12,15-octadecatrienoic acid (linolenic) 

 n-9-Hexadecenoic acid 

 n-Triacontanoic acid 

 n-Octacosanoic acid 

 N-heptacosanoic acid 

 n-Nanadecanoic acid 

 o-Pentadecanoic acid 

 Neophytadiene 

 C2-Naphthalenes 

C1-MW 178 PAH 

Solanone 

 Geranyl acetone 

Nicotine 

 Bipyridyl 

Cotinine 

 Carbazole 

 Indole 

 Nornicotine 

 Phenylpyridine 

 quinoline 

 Isoquinoline 

 2-Ethylphenol 

 Ethenylphenol 

2,5-Pyrrolidinedione, 1-methyl- 

(N-Methylsuccinimide) 

 Beta-Nicotyrine 

 Methylindole 

 pyrolo[2,3-b]pyridine 

Specie ID NAME 

1820 2-Furancarboxaldehyde, 5-(hydroxymethyl)­

1821 Iso-nonacosane 

1822 Vitamin E 

1823 Niacin 

1824 Glyoxylic Acid 

1825 Pyruvic acid 

1826 N-Oxynicotine 

1827 Hydroxypyridine 

1828 Furancarboxylic acid 

1829 Phenylacetic Acid 

1830 anteiso-Triacontane 

1831 Iso-Hentriacontane 

1832 anteiso-Dotriacontane 

1833 Iso-triacontane 

1834 Ethenylbenzenediols 

1835 9,12,15-Octadecatrienoic acid 

1836 2-(2-Butoxyethanoxy)ethanol 

1837 2,2,4-Trimethyl-1,3-pentanediol diisobutryate 

1838 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate 

1839 Beryllium 

1840 Heptylcyclohexane 

1841 Octylcyclohexane 

1843 Cyclohexane, tetradecyl1845 8B,13a-dimethyl-14B- [3'-methylbutyl]-podocarpane 

1846 18a(H)-22,29,30- trisnorneohopane 

1847 Tellurium 

1848 Dibenz[a,h]anthracene 

1849 Dysprosium 

1850 Lithium 

1851 Neodymium 

1852 Niobium 

1853 Praseodymium 

1854 Samarium 

1855 Scandium 

1856 Tantalum 

1857 Terbium 

1858 Thorium 

1859 Tungsten 

1860 Boron 

1861 Cerium 

1862 Cesium 

1863 Europium 

1864 Gadolinium 

1865 Germanium 

1866 Hafnium 

1867 Holmium 

1868 Ytterbium 

1869 Bismuth 

1870 Iodine 

1871 Fluorine 

1872 hydrogen phosphate 

1873 Acridine 

1874 BENZO(B)NAPTHOL(1,2 

1875 BENZO(B+K)FLUORANTHE 

1876 WAT. SOL. CHLORIDE 

1877 WAT. SOL. POTASSIUM 

1879 4-Methylcyclopentene 

1880 methylsyringol 

1881 2,6-Dimethylnaphthalene 

1882 propylguaicol 

1883 Methyl fluorene 

1884 PM Fine 

1885 1-ETHOXY-2-PROPANOL 

1886 1-METHYLCYCLOHEXENE 

1887 1-NITROPROPANE 

1888 2,2 DICHLORONITROANILINE 

1889 2,3,3-TRIMETHYL-1-BUTENE 

1890 2-BUTYLTETRAHYDROFURAN 

1891 2-ETHYL HEXANOL 

1892 2-METHYL-3-HEXANONE 

A-10 
Specie ID NAME 

1893 3-(CHLOROMETHYL)-HEPTANE 

Specie ID NAME 

1963 C3 CYCLOHEXANE 

1894 3,4 DIMETHYLOCTANE 1964 C3/C4/C5 ALKYLBENZENES 

1895 3-HEPTENE 1965 C-30 COMPOUNDS 

1896 4,4-METHYLENE DIANILINE 1966 C-31 COMPOUNDS 

1897 4-CHLORO-3,5-XYLENOL 1967 C-32 COMPOUNDS 

1898 4-METHYLANILINE 1968 C-33 COMPOUNDS 

1899 4-PHENYL-1-BUTENE 1969 C-34 COMPOUNDS 

1900 5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE 1970 C-35 COMPOUNDS 

1901 ACETIC ANHYDRIDE 1971 C-36 COMPOUNDS 

1902 ACETONITRILE 1972 C-37 COMPOUNDS 

1903 ACRYLIC ACID 1973 C-38 COMPOUNDS 

1904 ALPHA-TERPINEOL 1974 C-39 COMPOUNDS 

1905 AMINOANTHRAQUINONE 1975 C-3-HEXENE 

1906 ANILINE 1976 C-4 COMPOUNDS 

1907 BENZOPYRENES 1977 C4 SUBSTITUTED CYCLOHEXANE 

1908 BENZYL ACETATE 1978 C4 SUBSTITUTED CYCLOHEXANONE 

1909 BENZYL CHLORIDE 1979 C-40 COMPOUNDS 

1910 BENZYLAMINE HYDROCHLORIDE 1980 C-41 COMPOUNDS 

1911 BENZYLCARBINYL PROPIONATE 1981 C-42 COMPOUNDS 

1912 BIPHENYLOL 1982 C-43 COMPOUNDS 

1913 BIS(TRI-N-BUTYLTIN)OXIDE 1983 C4-ALKYLPHENOLS 

1914 B-PHELLANDRENE 1984 C4-ALKYLSTYRENES 

1915 BROMODINITROANILINE 1985 C4-BENZENE 

1916 BROMODINITROBENZENE 1986 C-5 COMPOUNDS 

1917 BUTOXY PROPANOL 1987 C5 CYCLOHEXANE 

1918 BUTOXYBUTENE 1988 C5 ESTER 

1919 BUTYL 1989 C5 OLEFIN 

1920 BUTYL BENZOATE 1990 C5 PARAFFIN 

1921 BUTYLISOPROPYLPHTHALATE 1991 C5 PARAFFIN/OLEFIN 

1922 C-1 COMPOUNDS 1992 C5 SUBSTITUTED CYCLOHEXANE 

1923 C10 AROMATIC 1993 C5-ALKYLBENZENES 

1924 C-10 COMPOUNDS 1994 C5-ALKYLBENZENES (UNSAT.) 

1925 C10 OLEFINS 1995 C5-ALKYLPHENOLS 

1926 C10 PARAFFINS 1996 C5-BENZENE 

1927 C10H12 1997 C5-CYCLOHEXANE 

1928 C10H16 1998 C5-ENE 

1929 C-11 COMPOUNDS 1999 C-6 COMPOUNDS 

1930 C11 OLEFINS 2000 C6 OLEFINS 

1931 C-12 COMPOUNDS 2001 C6 SUBSTITUTED CYCLOHEXANE 

1932 C12 OLEFINS 2002 C6-ALKYLBENZENE 

1933 C-13 COMPOUNDS 2003 C6H18O3SI3 

1934 C13-BRANCHED ALKANE 2004 C6H8 ISOMER 

1935 C-14 COMPOUNDS 2005 C-7 COMPOUNDS 

1936 C14-BRANCHED ALKANE 2006 C-7 CYCLOPARAFFINS 

1937 C-15 COMPOUNDS 2007 C7 OLEFINS 

1938 C15-BRANCHED ALKANE 2008 C7 PARAFFINS 

1939 C16 BRANCHED ALKANE 2009 C7-C16 PARAFFINS 

1940 C-16 COMPOUNDS 2010 C7H12O 

1941 C16-BRANCHED ALKANE 2011 C-8 COMPOUNDS 

1942 C-17 COMPOUNDS 2012 C-8 CYCLOPARAFFINS 

1943 C-18 COMPOUNDS 2013 C-8 OLEFINS 

1944 C-19 COMPOUNDS 2014 C8 PARAFFIN 

1945 C2 ALKYL INDAN 2015 C8 PHENOLS 

1946 C-2 COMPOUNDS 2016 C8H14 

1947 C2 CYCLOHEXANE 2017 C8H24O4SI4 

1948 C-20 COMPOUNDS 2018 C-9 COMPOUNDS 

1949 C-21 COMPOUNDS 2019 C-9 CYCLOPARAFFINS 

1950 C-22 COMPOUNDS 2020 C9 OLEFINS 

1951 C-23 COMPOUNDS 2021 C9 PARAFFIN 

1952 C-24 COMPOUNDS 2022 C9 PHENOLS 

1953 C-25 COMPOUNDS 2023 CAMPHENE 

1954 C-26 COMPOUNDS 2024 CARBARYL 

1955 C-27 COMPOUNDS 2025 CARYOPHYLLENE 

1956 C-28 COMPOUNDS 2026 CHLOROPENTAFLUOROETHANE 

1957 C-29 COMPOUNDS 2027 CHLOROPRENE 

1958 C2-ALKYL-ANTHRACENES 2028 CHLOROTOLUENE 

1959 C2-ALKYL-BENZANTHRACENES 2029 CHLOROTRIFLUOROMETHANE 

1960 C2-ALKYLNAPHTHALENE 2030 CIS-1,3-DICHLOROPROPYLENE 

1961 C-2-OCTENE 2031 COAL TAR 

1962 C-3 COMPOUNDS 2032 COPPER NAPHTHENATE 

A-11 
Specie ID NAME Specie ID NAME 

2033 CORN OIL 2104 FREON 

2034 CREOSOTE 2105 FURFURYL ALCOHOL 

2036 CYCLOPENTYLCYCLOPENTANE 2106 GERANIOL 

2037 DECALINS 2107 HEPTADIENAL 

2038 DECYL ALCOHOL 2108 HEPTENE 

2039 DENATURANT 2109 HEXACHLOROETHANE 

2040 DI(ETHYLPHENYL) ETHANE 2110 HEXADIENAL 

2041 DIAZINON 2111 HEXAFLUOROETHANE 

2042 DIBENZANTHRACENES 2112 HEXAMETHYLCYCLOTRISILOXANE 

2043 DIBENZOPYRENES 2113 HEXAMETHYLENEDIAMINE 

2044 DIBUTYL ETHER 2114 HEXENAL 

2045 DI-C8 ALKYL PHTHALATE 2115 HEXENE 

2046 DICHLOROTETRAFLUORETHANE 2116 HEXYNE 

2047 DIETHYL ACETAL ACETALDEHYDE 2117 ISOAMYL ALCOHOL 

2048 DIGLYCOLAMINE 2118 ISOBUTYL ACRYLATE 

2049 DIHYDRONAPTHALENE 2119 ISOBUTYRALDEHYDE 

2050 DIHYDROXYACETONE 2120 ISOMERS OF BUTENE 

2051 DIHYDROXYNAPTHALENEDIONE 2121 ISOMERS OF C10H18 

2052 DIISOPROPYL BENZENE 2122 ISOMERS OF C11H20 

2053 DIMETHYL ALKYL AMINES 2123 ISOMERS OF C9H16 

2054 DIMETHYL NAPTHALENE 2124 ISOMERS OF ETHYLTOLUENE 

2055 DIMETHYL TEREPHTHALATE 2125 ISOMERS OF HEPTADECANE 

2056 DIMETHYLACETAMIDE, N,N­ 2126 ISOMERS OF HEPTANE 

2057 DIMETHYLAMINE 2127 ISOMERS OF HEXANE 

2058 DIMETHYLBUTENE 2128 ISOMERS OF NONANE 

2059 DIMETHYLCARBAMODITHIOIC ACID, 2129 ISOMERS OF OCTADECANE 

POTASSIUM SALT 2130 ISOMERS OF OCTANE 

2061 DIMETHYLCYCLOHEXANE 2131 ISOMERS OF PENTADECANE 

2062 DIMETHYLCYCLOPENTENES 2132 ISOMERS OF PENTANE 

2063 DIMETHYLETHYLBENZOIC ACID 2133 ISOMERS OF PENTENE 

2064 DIMETHYLHEPTANOL 2134 ISOMERS OF PROPYLBENZENE 

2065 DIMETHYLHEXADIENE 2135 ISOMERS OF TETRADECANE 

2066 DIMETHYLHEXANEDIOATE 2136 KEROSENE/DIESEL/FUEL OIL 

2067 DIMETHYLHEXANES 2137 KETONES - GENERAL 

2068 DIMETHYLHEXENE 2138 LACTOL SPIRITS 

2069 DIMETHYLINDANS 2139 MALATHION 

2070 DIMETHYLINDENE 2140 MALEIC ANHYDRIDE 

2071 DIMETHYLNAPHTHYRIDINE 2141 MEDIUM ALIPHATIC SOLVENT NAPHTHA 

2072 DIMETHYLNONANES 2142 MESITYL OXIDE 

2073 DIMETHYLOCTANES 2143 METHOXYPROPANOL 

2074 DIMETHYLOCTANOL 2144 METHYL ACRYLATE 

2075 DIMETHYLOCTYNE 2145 METHYL BIPHENYL 

2076 DIMETHYLPENTANE 2146 METHYL C11 ESTER 

2077 DIMETHYLPENTANOL 2148 METHYL C13 ESTER 

2078 DIMETHYLPENTENE 2149 METHYL C14 ESTER 

2079 DIPROPYL PHTHALATE 2150 METHYL C15 ESTER 

2080 DIPROPYLENE GLYCOL ETHYL ETHER 2151 METHYL C19 ESTER 

2081 DIVINYL BENZENE 2152 METHYL C20 ESTER 

2082 DODECANAMIDE 2153 METHYL DODECANOATE 

2083 EPICHLOROHYDRIN 2154 METHYL FORMATE 

2084 ETHYL STYRENE 2155 METHYL ISOAMYL KETONE 

2085 ETHYLAMINE 2157 METHYL NAPHTHALENES 

2086 ETHYLBICYCLOHEPTANE 2158 METHYL PALMITATE 

2087 ETHYLCYCLOPENTENE 2159 METHYL STEARATE 

2088 ETHYLDIMETHYLBENZENE 2160 METHYLACETATE 

2089 ETHYLDIMETHYLCYCLOHEXANE 2161 METHYLALLENE 

2090 ETHYLDIMETHYLPENTANE 2162 METHYLAMINE 

2091 ETHYLENEAMINES 2163 METHYL-ANTHRACENES 

2092 ETHYLENEDIAMINETETRAACETIC ACID 2164 METHYLBENZALDEHYDE 

2093 ETHYLHEPTANE 2165 METHYL-BENZANTHRACENES 

2094 ETHYLHEPTENE 2166 METHYLBUTADIENE 

2095 ETHYLHEXANOATE 2167 METHYLBUTENE 

2096 ETHYLINDAN 2168 METHYLCYCLOHEXADIENE 

2097 ETHYLISOPROPYL ETHER 2169 METHYLCYCLOHEXENE 

2098 ETHYLMETHYLCYCLOPENTANE 2170 METHYLCYCLOOCTANE 

2099 ETHYLMETHYLOCTANE 2171 METHYLCYCLOPENTADIENE 

2100 ETHYLOCTENE 2172 METHYLDECANES 

2101 ETHYLPENTENE 2173 METHYLDIHYDRONAPHTHALENE 

2102 ETHYL-PHENYL-PHENYL-ETHANE 2174 METHYLDODECANE 

2103 ETHYLPROPYLCYCLOHEXANES 2175 METHYLENE BROMIDE 

A-12 
Specie ID NAME Specie ID NAME 

2176 METHYLETHYLPENTANOATE 2248 TERPENES 

2177 METHYL-FLUORANTHENES 2249 TETRABUTYL ORTHOTITANATE 

2178 METHYLHEPTANE 2250 TETRACHLOROBENZENES 

2179 METHYLHEPTANOL 2251 TETRAETHYLENE GLYCOL 

2180 METHYLHEPTENE 2252 TETRAFLUOROMETHANE 

2181 METHYLHEPTYNE 2253 TETRAMETHYLBENZENE 

2182 METHYLHEXADIENE 2254 TETRAMETHYLCYCLOBUTENE 

2183 METHYLHEXANAL 2255 TETRAMETHYLHEXANE 

2184 METHYLHEXANE 2256 TOTAL AROMATIC AMINES 

2185 METHYLHEXENES 2257 TOTAL C2-C5 ALDEHYDES 

2186 METHYLINDANS 2258 TRANS-1,3-DICHLOROPROPENE 

2187 METHYLINDENE 2259 TRICHLOROBENZENES 

2188 METHYLISOPROPYLCYCLOHEXANE 2260 TRIETHANOLAMINE LAURYL SULFATE 

2189 METHYLMETHYLPROPENOATE 2261 TRIETHYLENE GLYCOL 

2190 METHYLNAPHTHALENE 2262 TRIETHYLENE GLYCOL MONOBUTYL ETHER 

2191 METHYLNONANE 2263 TRIFLUOROMETHANE 

2192 METHYLNONENE 2264 TRIMETHYLAMINE 

2193 METHYLOCTANES 2265 TRIMETHYLDECANE 

2194 METHYLPENTANE 2266 TRIMETHYLDECENE 

2195 METHYLPENTENES 2267 TRIMETHYLFLUOROSILANE 

2196 METHYLPROPENE 2268 TRIMETHYLHEPTANES 

2197 METHYLPROPYLCYCLOHEXANES 2269 TRIMETHYLHEXANES 

2198 METHYLPROPYLNONANE 2270 TRIMETHYLINDAN 

2199 METHYLUNDECANE 2271 TRIMETHYLPENTADIENE 

2200 M-XYLENE AND P-XYLENE 2272 TRIMETHYLPENTANE 

2201 MYRCENE 2273 UNC PEAKS TO CBM ALDEHYDES 

2202 N,N-DIETHYL-3-METHYLBENZAMIDE 2274 UNC PEAKS TO CBM NON REACT 

2203 NAPHTHA 2275 UNC PEAKS TO CBM OLEFINS 

2204 NAPHTHENIC ACID 2276 UNC PEAKS TO CBM PARAFFINS 

2205 NAPHTHOL 2277 UNC PEAKS TO CBM TOLUENE 

2206 NITROBENZENE 2278 UNC PEAKS TO CBM XYLENE 

2207 NONENONE 2279 UNDEFINED AROMATIC 

2208 N-PENTENE 2280 UNDEFINED PARAFFIN 

2209 N-PENTYLCYCLOHEXANE 2281 UNDEFINED PETROLEUM DISTILLATES 

2210 N-PHENYLANILINE 2282 UNDEFINED PROPELLANT 

2211 OCTAMETHYLCYCLOTETRASILOXANE 2283 UNDEFINED VOC 

2212 OCTATRIENE 2284 UNIDENTIFIED 

2213 OTHER 2285 UNKNOWN #1 

2214 OXALIC ACID (ANHYDROUS) 2286 UNKNOWN #13 

2215 OXYGENATES 2287 UNKNOWN #16 

2216 PARAFFINS (C16-C34) 2288 UNKNOWN #3 

2217 PARAFFINS/OLEFINS (C12-C16) 2289 UNKNOWN #4 

2218 PARAFORMALDEHYDE 2290 UNKNOWN #5 

2219 PENTACHLORONITROBENZENE 2291 UNKNOWN #6 

2221 PENTANOL 2292 UNKNOWN #7 

2223 PENTYL ALCOHOL, TERT­ 2293 UNKNOWN #8 

2224 PENTYLIDENECYCLOHEXANE 2294 VARAMID ML 1 

2225 PENTYNE 2295 XYLENE BASE ACIDS 

2226 PETROLEUM ETHER 2297 Unknown 

2227 PHENYL ISOCYANATE 2300 Trimethylcyclopentane 

2228 PHTHALIC ANHYDRIDE 2301 Dimethylbutane 

2229 PINE TAR 

2230 PIPERYLENE 

2231 PRAMITOL 

2232 PREDNISONE 

2233 PROPIONIC ACID 

2234 PROPYLENE DICHLORIDE 

2235 PROPYLENE GLYCOL PHENYL ETHER 

2236 PROPYLHEPTENES 

2237 PYRETHRUM 

2238 PYRIDINE 

2239 SILICONE 

2240 SILOXANE 

2241 STODDARD SOLVENT 

2242 SUBSTITUTED C9 ESTER (C12) 

2243 T-1-PHENYLBUTENE 

2244 T-2-NONENE 

2245 TENNECO 500-100 

2246 TEREPHTHALIC ACID 

2247 TERPENE ALCOHOL 

A-13