Sustainable Futures 

Summary Environmental 

Assessment 

Using 

P2 Framework Models

Chemical Assessed: 

4,5,6-Trichloropyridine-2-carboxylic Acid (4,5,6-ACID)

CAS Registry Number: 

496849-77-5

Participant Name: 

Date of Assessment: 

September 24, 2014 

This document was developed to help compile estimation results from U.S. EPA OPPT’s P2

Framework Models and is used by OPPT during Sustainable Futures (SF) training described at

www.epa.gov/oppt/sf.

Participants in the voluntary SF Initiative are asked to submit the 

information contained in this assessment along with their SF PMNs in their choice of format.

Use of this specific format is not mandatory.
2 

Record ID: 4,5,6-ACID CAS No. 496849-77-5

Chemical Structure MW: 226

MF: C6H2Cl3NO2

Physical Form: Solid

Submitter: 

Trade Name: NONE

Use: Intermediate in chemical 

manufacturing process

Production Volume: 80 metric 

ton/year

SMILES: OC(=O)C1=NC(Cl)=C(Cl)C(Cl)=C1

Name: 4,5,6-Trichloropyridine-2-carboxylic Acid

Synonyms: 2-pyridinecarboxylic acid: 4,5,6-trichloro-; picolinic acid: 4,5,6-trichloro-; 4,5,6-acid, 4,5,6-trichloropicolinic 

acid; 4,5,6-trichloropyridine-2-carboxylic acid; and 4,5,6-trichloro-2-pyridinecarboxylic acid

SUSTAINABLE FUTURES SUMMARY:

Concern Level HIGH MODERATE LOW

Persistence X

Bioconcentration X

Cancer Health Hazard

Non-Cancer Health Hazard

Aquatic Toxicity Hazard X

Is the chemical predicted to be a PBT by PBT Profiler? NOT a PBT

Overall Hazard Concern Human Health Hazard: 

Aquatic Hazard: Moderate

Overall Risk Human Health Risk: Low

Aquatic Risk: Low
3 

CAS No. 496849-77-5 Submitter: 

PHYSICAL/CHEMICAL PROPERTIES: (EPI Suite Estimation or Measured Value)

Melting Point (deg C) 125 (Measured)

117 (MPBPWIN Selected MP)

Boiling Point (deg C) 330 (MPBPWIN)

357 ± 37 (estimated)

Boiling Point Pressure (mm Hg) 760 mmHg

Vapor Pressure (mm Hg) 4.88E-5 (MPBPWIN Selected VP)

9.82E-6 (estimated)

Water Solubility at 25 deg C (g/L) 300 mg/L (Measured at 22 deg C)

Log Kow 2.62 (KOWWIN)

ENVIRONMENTAL TRANSPORT AND FATE:

Transport

Henry’s Law Constant – HLC (atm-m

3

/mol) 3.64E-9 (HENRYWIN)

Soil Adsorption Coefficient – log Koc 

1.89 (KOCWIN MCI method)

1.93 (KOWWIN LogKow method)

Log Bioconcentration Factor – BCF 0.5 (BCFBAF) (BCF=3.16 L/kg)

Persistence

Probability of Rapid Biodegradation

Does Not Biodegrade Fast; 

Probability 0.11 (Biowin1 Linear)

Probability 0.00 (Biowin2 Nonlinear)

Ultimate Biodeg Model 1.95 (months) (Biowin3)

Primary Biodeg Model 3.01 (weeks) (Biowin4)

Ready Biodegradability (MITI Model)

Does Not Biodegrade Fast

Probability 0.41 (Biowin5 Linear)

Probability 0.07 (Biowin6 Nonlinear)

Atmospheric Half-life 20 Days (AOP WIN)

Hydrolysis Half-life No relevant hydrolyzable bonds/functional groups

Volatilization Half-life for Model River > 365 days (27.6 years)

Volatilization Half-life for Model Lake > 365 days (301 years)

Removal in STP (EPA Draft Method) 3.49% (STP in EPI Suite)

Experimental Data No experimental data on STP removal

Byproducts

Degradation Products NA

Metabolites NA
4 

CAS No. 496849-77-5 Submitter: 

ECOTOXICITY: (ECOSAR v1.11)

ECOSAR Class Halopyrdines –acid; Neutral Organics

Acute Toxicity

Fish LC50 15.4 mg/L (Halopyrdines –acid)

51.7 (Neutral Organics)

Daphnid LC50 11.1 mg/L (Halopyrdines –acid)

31.1 (Neutral Organics)

Green Algae EC50

No SAR for Algae for the class Halopyrdines – acid in 

ECOSAR; estimated to be 10.5 mg/L assuming that the ratios

between Algae and Daphnia values are the same for 

halopyrdines-acid class and for neutral organics class

29.3 (Neutral Organics)

Chronic Toxicity

Fish ChV 2.59 mg/L

Daphnid ChV 0.33 mg/L

Estimated through acute-to-chronic ratio by ECOSAR

Green Algae ChV 2.63 mg/L (using the estimated acute value of 10.5 mg/L, and 

acute to chronic ratio of 4)

Hazard Concern for Aquatic Toxicity Moderate

Concern Concentration 33 μg/L
5 

CAS No. 496849-77-5 Submitter: 

EXPOSURE MODELS:

INDUSTRIAL RELEASE AND EXPOSURE VALUES: CHEMSTEER

Process Number of Release Days

SIC Code / NPDES # Number of Facilities 1

Occupational Exposure Values

Cancer LADD Chronic ADD Acute APDR

Dermal

Inhalation

Environmental Release Values

Release to Water [Equipment cleaning]

1.4 kg/batch for 78 batches per year 

(or 1.24 kg/day for 88 days)

Release to Air (Fugitive) [Equipment cleaning] 0

Release to Air (Fugitive) [loading liquid product into 

drums] 0

Release to Landfill 0

Release from Incineration 0

Other Release Activities 0

GENERAL POPULATION EXPOSURE VALUES: E-FAST

Aquatic Exposure:

Lowest Acute COC – Aquatic Exposure 2220 μg/L

Lowest Chronic COC – Aquatic Exposure 33 μg/L

Predicted Environmental Concentration (PEC) 3.2 μg/L

(See Note 1 below in the write up section)

PEC Exceeds Chronic COC (days / year) 0

Human Exposure:

Cancer LADDpot Chronic ADDpot Acute ADRpot

Drinking Water

0 

(EFAST does not estimate 

drinking water exposure 

when a lake is the 

receiving water)

0

(EFAST does not estimate 

drinking water exposure 

when a lake is the receiving 

water)

0

(EFAST does not 

estimate drinking water 

exposure when a lake is 

the receiving water)

Fish Ingestion 8.4E-8 1.6E-7 1.9E-5

Fugitive Emissions 

[drumming] 0 0 0

Fugitive Emissions [reactor 

cleaning] 0 0 0

Incineration Emissions 0 0 0

Landfill Leaching 0 0 0

Dermal – Consumer Use 0 0 0

Inhalation – Consumer Use 0 0 0

RISK ASSESSMENT CALCULATIONS:

MOE – Acute Occupational Exposure

MOE – Chronic Occupational Exposure

MOE – Acute General Population Exposure

MOE – Chronic General Population Exposure
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CAS No. 496849-77-5 Submitter: 

SUMMARY CONCLUSIONS:

Occupational Risk:

Risk of Non-Cancer Acute Effects from Occupational Exposure: Low

Risk of Non-Cancer Chronic Effects from Occupational Exposure: Low

Risk of Cancer Effects from Occupational Exposure: Low

General Population Risk:

Risk of Non-Cancer Acute Effects to General Population: Low

Risk of Non-Cancer Chronic Effects to General Population: Low

Risk of Cancer Effects to General Population: Low

Consumer Risk:

Risk of Non-Cancer Acute Effects to General Population: Low

Risk of Non-Cancer Chronic Effects to General Population: Low

Risk of Cancer Effects to General Population: Low

Aquatic Risk:

Acute Risk to the Aquatic Environment: No risk

Chronic Risk to the Aquatic Environment: No risk

WRITE-UP SECTIONS:

Physical/Chemical Properties

The substance is a solid at ambient temperature. Melting point is measured at 125 deg C. Boiling point is estimated to 

be 330 deg C.

Moderately water soluble with a measured water solubility of 300 mg/L;

Log Kow is estimated to be 2.62

Not volatile due to extremely low Henry’s Law constant

Environmental Fate

Not readily biodegradable; Hydrolytically stable;

Not bioaccumulative;
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CAS No. 496849-77-5 Submitter: 

Aquatic Hazard

Moderately toxic. Lowest acute toxicity value for the most sensitive species is estimated to be 10.5 mg/L. Lowest 

chronic toxicity value for the most sensitive species is estimated to be 0.33 mg/L. Hazard concern level is Moderate

according to the Interpretive Assistance Document for Assessment of Discrete Organic Chemicals, Sustainable Futures 

Summary Assessment, Updated June 2013.

Acute concentration of concern (COC) is 2220 μg/L; 

Chronic concentration of concern (COC) is 33 μg/L.

Human Health Cancer Hazard

Human Health Non-Cancer Hazard
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CAS No. 496849-77-5 Submitter: 

Environmental (Aquatic) Exposure

Predicted surface water concentration is 3.2 μg/L. 

NPDES Permit Number: WI-0036820-02-0 (Milwaukee Metropolitan Sewage District, MMSD)

Note 1:

This NPDES number is in the library of EFAST v2.0, however, EFAST does not estimate the PEC because of lacking 

REACH and other information for this NPDES number. Therefore, the flowing parameters were used to estimate the 

PEC outside of EFAST.

Using discharge rate of 1.4 kg/batch (or 1.24 kg/day), 27 h/batch, production volume of 80 metric ton/year which is 78 

batch/year (or 88 d/year) of production, daily water inflow of 100 million gallons per day at one of the MMSD 

wastewater treatment plant (Ref: AN EVALUATION -- Milwaukee Metropolitan Sewerage District, July 2002, by 

Jeanne Thieme et al), 3.5% removal at STP. Dilution factor of 1 for Lake Michigan.

 

 

 

 

 

 

 

 

 

 

 

 

 

Occupational Exposure

General Population Exposure

Consumer Exposure

Environmental (Aquatic) Risk Assessment

There is no environmental risk. The hazard concern is Moderate with acute COC of 2220 μg/L and chronic COC of 33 

μg/L. The expected environmental concentration is 3.2 μg/L. This compound is not a PBT, and overall there is no

environmental risk.
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Appendix 1: Determination of Aquatic Risk

Chemical Identifier: 4,5,6-ACID CAS Number: 496849-77-5 Submitter: 

Release Activity 1: Site Information: WI-0036820-02-0 (Milwaukee Metropolitan Sewage District, MMSD)

Endpoint Effect Level 

(ppb) Assessment Factor Acute COC (ppb) PEC (ppb) Potential for Risk?

Acute Profile

Fish 15400 5 3080 3.2 No

Daphnia 11100 5 2220 3.2 No

Algae 10500 4 2625 3.2 No

Chronic 

Profile

Endpoint Effect Level 

(ppb) Assessment Factor Chronic COC (ppb)

Days/Year PEC 

Exceeds COC

Potential for 

Risk?

Fish 2590 10 259 0 No

Daphnia 330 10 33 0 No

Algae 2630 10 263 0 No