# SCREENING-LEVEL HAZARD CHARACTERIZATION AND

PRIORITIZATION DOCUMENT

BUTENEDIOIC ACID DIALKYL ESTERS CLUSTER

14 Chemicals

MPV Chemical(s)

CAS Registry Number CA 1 

# Index Name

141-02-6 2-Butenedioic acid (2E )-, 1,4-bis(2-ethylhexyl) ester

141-05-9 2-Butenedioic acid (2Z)-, 1,4-diethyl ester

2915-52-8 2-Butenedioic acid (2Z)-, 1,4-didodecyl ester

14234-82-3 2-Butenedioic acid (2Z )-, 1,4-bis(2-methylpropyl) ester

53817-54-2 2-Butenedioic acid (2Z)-, 1,4-diisononyl ester

61791-92-2 2-Butenedioic acid (2 Z)-, 1,4-ditridecyl ester

624-48-6 2-Butenedioic acid (2Z)-, 1,4-dimethyl ester

HPV Chemical(s)

CAS Registry Number CA Index Name

621-13-6 2-Butenedioic acid (2 Z)-, 1,4-dicyclohexyl ester

68610-90-2 2-Butenedioic acid (2 E)-, di-C8-18-alkyl esters

68921-51-7 2-Butenedioic acid (2 E)-, di-C12-18-alkyl esters

Supporting Chemical(s)

CAS Registry Number CA Index Name

105-52-2 2-Butenedioic acid (2Z)-, 1,4-bis(1,3-dimethylbutyl) ester

105-76-0 2-Butenedioic acid (2Z)-, 1,4-dibutyl ester

142-16-5 2-Butenedioic acid (2Z )-, 1,4-bis(2-ethylhexyl) ester

623-91-6 2-Butenedioic acid (2E)-, 1,4-diethyl ester

1 

# Chemical Abstracts

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

2 Prepared by

Office of Pollution Prevention and Toxics

Environmental Protection Agency

1200 Pennsylvania Avenue, NW

Washington, DC 20460-0001

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

3 SCREENING-LEVEL HAZARD CHARACTERIZATION AND

PRIORITIZATION DOCUMENT

Screening-level hazard characterizations for medium production volume chemicals are

important contributions to the chemicals c ooperation work being done in North America 2



# through the EPA Chemical Assessment and Management Program (ChAMP) 3 

# . This

chemical cluster was organized to maximize the potential information available to inform

screening-level priori tization of chemicals needing further consideration and, where

possible, to prioritize among multiple need s. Although most of the information

considered relates to hazard, inferences about exposure that can be drawn from existing

environmental fate and regulatory information ha ve also been used, and information from

the 2006 Inventory Update Reporting (IUR) 4 

# is included to inform exposure potential

when it is available.

These screening-level hazard characterizati ons are technical documents intended to

support subsequent decisions and actions by O ffice of Pollution Prevention and Toxics

(OPPT). They provide a vehicle for public access to a concise assessment of the

technical data on MPV chemicals and provide information previously not readily

available to the public. The screening-level hazard characterizations, as the name

indicates, do not evaluate the potential risks of a chemical or cluster of chemicals. This

initial prioritization does not constitute a final Agency determination. Recommended

actions may be considered by EPA in the future based on a relative judgment regarding

one or more of the chemicals in comparison with others evaluated under this program,

and in light of the uncertainties presented by gaps in the available data that may be

determined to exist.

The purpose of organizing chemicals into struct ural clusters for this characterization was

to maximize the number of potential analogs identified for the MPV chemicals, thus

maximizing the potential data available to inform the MPV hazard characterizations.

Organizing each chemical and associated data wi thin a cluster will help assessors identify

chemical trends, detect outlying estimates and measured data, fac ilitate read across, assist

in weight of evidence appr oaches, and support identifica tion of appropriate sub

clustering. During the review of each cluster, assessors will likely determine endpoint

specific subclasses depicting sets of compounds with potentially sim ilar mechanistic or

biological properties within the larger struct ural cluster. These endpoint specific sub

clusters, breakpoints, and trends will be described within e ach section of the hazard

characterization.

2 

# USEPA, U.S. Commitments to Nort h American Chemicals Cooperation:

http://www.epa.gov/hpv/pubs/general/sppframework.htm

. 3 

# USEPA, ChAMP information: http://www.epa.gov/champ/

. 4 

# USEPA, IUR Reporting information: http://www.epa.gov/oppt/iur/index.htm

.

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

4 1. STRUCTURAL CLUSTER JUSTIFICATIONS

The butenedioic acid dialkyl esters cluster cons ists of fourteen symmetrical alkyl and alkenyl

esters of maleic and fumaric acid ((Z)- and (E)- butenedioic acid). The alkyl groups range from

C1-C18 and may be linear, branched or cyclic. Two of the cluster members are mixtures of

varying chain lengths. For these mixtures, the lo west molecular weight member was used for

structural representation on the data tables. However, for secti ons of the hazard assessment

where models were used to estimate endpoints, th e representative structures used as input to the

models or as the basis for read across vary depe nding on the hazard assessed. Therefore, refer to

the text of each hazard section for inform ation on specific assessment methods applied.

The following chemicals are listed on the 2006 IU R reporting as either HPVs or MPVs and are

subject to this priori tization assessment.

MPV Chemical(s)

CAS Registry Number CA Index Name

141-02-6 2-Butenedioic acid (2E )-, 1,4-bis(2-ethylhexyl) ester

141-05-9 2-Butenedioic acid (2Z)-, 1,4-diethyl ester

2915-52-8 2-Butenedioic acid (2Z)-, 1,4-didodecyl ester

14234-82-3 2-Butenedioic acid (2Z )-, 1,4-bis(2-methylpropyl) ester

53817-54-2 2-Butenedioic acid (2Z)-, 1,4-diisononyl ester

61791-92-2 2-Butenedioic acid (2 Z)-, 1,4-ditridecyl ester

624-48-6 2-Butenedioic acid (2Z)-, 1,4-dimethyl ester

HPV Chemical(s)

CAS Registry Number CA Index Name

621-13-6 2-Butenedioic acid (2 Z)-, 1,4-dicyclohexyl ester

68610-90-2 2-Butenedioic acid (2 E)-, di-C8-18-alkyl esters

68921-51-7 2-Butenedioic acid (2 E)-, di-C12-18-alkyl esters

The following other chemicals provided in this cl uster are used as supporting chemicals to help

inform the hazard characterization and prioritiza tion decisions. 2-Butenedioic acid (2Z)-, 1,4-

bis(1,3-dimethylbutyl) (105- 52-2), 2-butenedioic acid (2Z)-, 1 ,4-dibutyl ester (105-76-0), and 2-

butenedioic acid (2Z)-, 1,4-bis(2-ethylhexyl) es ter (142-16-5) have been assessed previously by

EPA as part of the Diesters Ca tegory Risk-Based Prioritization. 2-Butenedioic acid (2E)-, 1,4-

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

5 diethyl ester (623-91-6) has b een assessed previously in th e Organisation for Economic

Cooperation and Development’s (OECD) HPV Programme.

CAS Registry Number CA Index Name

105-52-2 2-Butenedioic acid (2Z)-, 1,4-bis(1,3-dimethylbutyl)

ester

105-76-0 2-Butenedioic acid (2Z)-, 1,4-dibutyl ester

142-16-5 2-Butenedioic acid (2Z )-, 1,4-bis(2-ethylhexyl) ester

623-91-6 2-Butenedioic acid (2E)-, 1,4-diethyl ester

2. PHYSICAL-CHEMICAL PROPERTIES (Table A)

Experimental physical-chemical prope rties data are available for the majority of members in this

cluster. Where measured data were not availa ble, the physical-chemical property values were

estimated using EPISuite v4.00. For physical-chemi cal property estimations on the non-discrete

mixtures in this cluster, the smallest molecular we ight member was used as structural input to the

model, or was used as the basis for read-across. The members of this cluster are expected to be

liquids under standard temperatur e and pressure conditions with the exception of four members

which are solids. The log of the octanol/water partition coefficients range from 0.8 to greater

than 15 and the boiling point values range from 1 68 to >540 degrees Celsius. Vapor pressure is

negligible to high and water sol ubility is negligible to high. A ll endpoints generally trend as

expected with increasing carbon chai n length and degree of branching.

3. ENVIRONMENTAL FATE (Table A)

Limited experimental environmental fate data we re available for the members of the butenedioic

acid dialkyl esters cluster. Where measured data were not available, the environmental fate

properties for members of this cluster were es timated using EPI SuiteTM v4.00. For the mixtures

in this cluster, the environmental fate estimat es were completed using the smallest molecular

weight member of the mixture. The members of this cluster are expected to have high to low

mobility in soil. Volatilization from water and wet soil for the butenedioic acid dialkyl esters is

considered moderate based on Henry’s Law cons tants. The rate of atmospheric photooxidation

for members of this cluster is considered slow to moderate. The rate of hydrolysis is considered

slow to negligible. Some of the members in th is cluster undergo photolysis . The rate of aerobic

biodegradation is expected to be rapid to mode rate. Fugacity models indicate that the cluster

members partition predominately to water and soil. The BAF values are less than the BCF values

for the butenedioic acid dialkyl esters cluster because the BCFBAF TM 

# v3.00 program accounts

for metabolic biotransformation when calculating BAF values, which mitigates the

bioaccumulation potential compared to BCF values. Butenedioic acid dialkyl esters are expected

to have low overall persistence and low bioaccumulation potential.

4. AQUATIC ORGANISM TOXICITY (Table B)

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

6 OPPT previously used read across from 2-butened ioic acid (2Z)-, 1,4-dibu tyl ester (105-76-0) to

characterize aquatic toxicity e ndpoints for: 2-butenedioic acid (2Z)-, 1,4-bis(1,3-dimethylbutyl)

ester (105-52-2) and 2-Butenedioic acid (2Z)-, 1, 4-bis(2-ethylhexyl) este r (142-16-5) (U.S. EPA,

2008). This same read-across is applied to cl uster member, 2-butenedioic acid (2E)-, 1,4-bis(2-

ethylhexyl) ester (141-02-8), whic h is an optical isomer of 2-but enedioic acid (2Z)-, 1,4-bis(2-

ethylhexyl) ester (142-16-5). It is noted that the chemicals fo r which read across was applied

have higher log K

ow 

# values than 105-76-0, and therefore ma y present slightly higher toxicity.

Where measured data were not available, the a quatic toxicity values for the members of this

cluster were estimated using the neutral organi cs class in ECOSAR v1.00. For the 2 members of

this cluster which are mixtures comprised of a ra nge of homologs with va rying alkyl chains the

largest molecular weight member (reflecting the highest log K

ow 

# value) was used as input to the

model. This approach is expected to provide a ‘worst case’ estimate because for neutral organics,

aquatic toxicity increases with increasing log K

ow 

# up the point where solub ility is so low (and log

K

ow 

# correspondingly high) as to limit toxicity an d no effects at satura tion are expected.

Available experimental and estimated data fo r fish, daphnia and green algae indicate acute

toxicity ranges from high to low in a predictable trend related to log K

ow 

# and water solubility.

Acute toxicity for 2-butenedioic acid (2Z)-, dimet hyl ester (624-48-6) is estimated to be low.

The remaining eight members of this cluster with log K

ow 

# s ranging between 2 and 8 are expected

to have moderate to high acute toxicity that increases with increasi ng carbon number and log

K

ow. 

# Cluster members with log Kow above 8 (68610-90-2, 53817- 54-2, 2915-52-8, 61791-92-2,

and 68921-51-7) are estimated to show no effect s at saturation due to their limited water

solubility.

With the exception of two invertebrate studies, all chronic toxicity data were estimated and

follow the same expected trend related to log K

ow 

# and water solubility as acute toxicity. Chronic

toxicity for 2-butenedioic acid (2 Z)-, dimethyl ester (624-48-6) is estimated to be low and

chronic toxicity of the remaining eight cluster members with log K

ow 

# s ranging between 2 and 8

are estimated to have moderate to high chroni c toxicity that increas es with increasing carbon

number and log K

ow. 

# Low chronic hazard (no effects at saturation) for 68610-90-2, 53817-54-2,

2915-52-8, 61791-92-2, and 68921-51-7 are expected due to their limited water solubility.

5. HUMAN HEALTH TOXICITY (Table C)

OPPT previously used read across from 2-butened ioic acid (2Z)-, 1,4-dibu tyl ester (105-76-0) to

characterize acute, repeated-dose, developm ental, reproductive, genotoxicity and skin

sensitization endpoints for: 2-butenedioic acid (2Z)-, 1,4-bis(1,3-dimethyl butyl) ester (105-52-2)

and 2-butenedioic acid (2Z)-, 1,4- bis(2-ethylhexyl) es ter (142-16-5) (U.S. EPA, 2008). This

same read-across is applied to cluster member , 2-butenedioic acid (2E )-, 1,4-bis(2-ethylhexyl)

ester (141-02-8), which is an optical isomer of 2-butenedioic acid (2Z)-, 1,4-bis(2-ethylhexyl)

ester (142-16-5).

Seven cluster members have been tested for acute toxicity. Acute toxici ty of the butenedioic

acid dialkyl esters cluster is gene rally low via the oral route of exposure in ra ts. Acute toxicity of

the lower molecular weight cluster member, 2-buten edioic acid (2Z)-, dimethyl ester (624-48-6)

was moderate via dermal exposure. Data for repeat ed-dose toxicity data we re available for three

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

7 cluster members. Systemic toxicity was moderate for the lower molecular weight cluster

members via the dermal (624-48-6) and oral (623-91-6 and by extension 141-05-9) routes of

exposure. Systemic toxicity was low via oral ex posure for 2-butenedioic acid (2Z)-, 1,4-dibutyl

ester (105-76-0) and by extension the other mi d-range (C16-C20) cluster members (105-52-2

(C16), 142-16-5 (C20), 141-02-6(C20)). Although data is generally lacking for the higher

molecular weight cluster member s, those chemicals with log K

ow 

# s above 12, are expected to have

poor or no absorption and theref ore limited toxicity.

Developmental toxicity for 2-buten edioic acid (2Z)-, 1,4-dibutyl es ter (105-76-0) was low via the

oral route of exposure. Low developmental toxi city is expected for those mid-range cluster

members for which the 2-butenedioic acid (2Z)-, 1,4-dibutyl ester (105- 76-0) data was readacross (105-52-2 (C16), 142-16-5 (C 20), 141-02-6(C20)). Reproducti ve toxicity data were

available for two cluster members. Reproducti ve toxicity of 2-buten edioic acid (2Z)-, 1,4-

dibutyl ester (105-76- 0) was low following oral exposure and is also expected to be low for other

cluster members to which this data was r ead-across (105-52-2 (C 16), 142-16-5 (C20), 141-02-

6(C20)). Also, 2-butenedioic acid (2E)-, 1,4-di ethyl ester (623-91-6) did not cause effects on

reproduction.

Measured data available for eye and skin irritati on show mixed results. 2-Butenedioic acid (2Z)-

, dimethyl ester (624-48-6) was i rritating to eyes and skin in ra bbits. Butenedioic acid (2Z)-, 1,4-

dibutyl ester (105-76-0) was irritating to eyes of rabbits but not to skin of rats and 2-butenedioic

acid (2Z)-, 1,4-bis(2-ethylhexyl) ester (142-16-5) wa s not irritating to eyes in rabbits, but was a

skin irritant in rabbits. Skin sensitization was re ported in guinea pigs for both 2-butenedioic acid

(2Z)-, dimethyl ester (624-48-6) and 2-butenedio ic acid (2Z)-, 1,4-dibutyl ester (105-76-0).

Mixed results were reported from genotoxicity studies for members of this cluster. Mutagenic

effects were reported for 2-but enedioic acid (2Z)-, 1,4-diet hyl ester (141-05-9) in an in vitro gene

mutation test conducted on mouse lymphoma cells and for 2-butenedioic acid (2E)-, 1,4-diethyl

ester (623-91-6) in in vitro chromosome aberration study. However, 2-butenedioic acid (2Z)-,

dimethyl ester (624-48-6) and 2-butenedioic acid (2Z)-, 1,4-dibutyl ester (105-76-0) were

negative in both chromosome aberrations in mice and in vitro mutagenicity tests. No measured

carcinogenicity data are available for the members of this cluster and the ch emicals in this cluster

are not covered in the current ve rsion of OncoLogic. Expert judgment suggests low concern for

the larger molecular weight members and at most a marginal cancer potential for the smaller

molecular weight members of the cluster which may, under unusual conditions, undergo

reduction reactions subsequently resulting in cyclization to form unsaturated lactones.

6. OVERALL HAZARD CH ARACTERIZATION SUMMARY (Table D)

Persistence and Bioaccumulation : Available experimental and estimated data for butenedioic

acid dialkyl esters indicate that members of this cluster are anticipated to have low persistence

and low bioaccumulation.

Environment : Available experimental and estimated data indicate that acute and chronic toxicity

of butenedioic acid dialkyl esters to aquatic orga nisms ranges from low to high in a trend that is

predictable based on log K

ow 

# and water solubility. Butenedioic acid dialkyl esters with log K

ow 

# s

above 8 are not expected to be toxi c due to their low water solubility.

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

8 Human Health : Available experimental and estimated data indicate the acute toxicity for the

butenedioic acid dialkyl esters cl uster via oral exposur e is low and via dermal exposure may be

moderate. Repeated-dose toxicity ranges from moderate to low, apparently decreasing with

increasing molecular size (and asso ciated properties). Reproductiv e and developmental toxicity

for the cluster members is considered low base d on available data and is consistent with

conclusions drawn from a larger category of diesters previous ly assessed (U.S. EPA, 2008).

Mixed results were reported for eye and skin irritation suggest that lower molecular weight

butenedioic acid dialkyl esters are expected to be eye and skin irrita nts, but do not support

identification of a trend as molecular weight and log K

ow 

# increase. Positive indications of skin

sensitization were seen for low and mid-range mo lecular weight cluster members. Mixed results

were also reported for genotoxicit y. The overall carcinogenicity conc ern is expected to be low.

7. 2006 NON-CBI IUR INFORMATION

IUR Information for the Moderate Production Volume (MPV) Butenedioic acid dialkyl

esters (CASRN 141-02-6, 141- 05-9, 624-48-6, 2915-52-6, 1 4234-82-3, 53817-54-2, 6179-19-2)

2-Butenedioic acid (2E)-, 1,4-bi s(2-ethylhexyl) ester (141-02-6 ): According to the 2006 IUR

submissions, 2-Butenedioic acid (2E)-, 1,4-bis( 2-ethylhexyl) ester had aggregated production

and/or import volume(s) in the United St ates between 25,000 and 500,000 pounds. No industrial

processing and uses were reported in the IU R submissions for this chemical. Also, no

commercial and consumer uses were reported in the IUR submissions for this chemical.

2-Butenedioic acid (2Z)-, 1,4-di ethyl ester (141-05-9): Accordi ng to the 2006 IUR submissions,

2-Butenedioic acid (2Z)-, 1,4-diet hyl ester had aggregated produc tion and/or import volume(s) in

the United States between 25,000 and 500,000 pounds. No industrial processing and uses were

reported in the IUR submissions for this chemi cal. Also, no commercial and consumer uses were

reported in the IUR submissions for this chemical.

2-Butenedioic acid (2Z)-, 1,4-dimethyl es ter (624-48-6): According to the 2006 IUR

submissions, 2-Butenedioic acid (2Z)-, 1,4-dime thyl ester had aggreg ated production and/or

import volume(s) in the United States between 25,000 and 500,000 pounds. No industrial

processing and uses were reported in the IU R submissions for this chemical. Also, no

commercial and consumer uses were reported in the IUR submissions for this chemical.

2-Butenedioic acid (2Z)-, 1,4-didodecyl es ter (2915-52-8): Acco rding to the 2006 IUR

submissions, 2-Butenedioic acid (2Z)-, 1,4-didod ecyl ester had aggregated production and/or

import volume(s) in the United States between 25,000 and 500,000 pounds. No industrial

processing and uses were reported in the IU R submissions for this chemical. Also, no

commercial and consumer uses were reported in the IUR submissions for this chemical.

2-Butenedioic acid (2Z)-, 1,4-bis(2-methylpr opyl) ester (14234-82-3): According to the 2006

IUR submissions, 2-Butenedioic acid (2Z)-, 1,4-bis(2-methylpropyl) ester had aggregated

production and/or import volume(s) in th e United States between 25,000 and 500,000 pounds.

No industrial processing and uses were reported in the IUR submi ssions for this chemical. Also,

no commercial and consumer uses were reported in the IUR submissions for this chemical.

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

9 2-Butenedioic acid (2Z)-, 1,4-diisononyl es ter (53817-54-2): According to the 2006 IUR

submissions, 2-Butenedioic acid (2Z)-, 1,4-diis ononyl ester had aggregated production and/or

import volume(s) in the United States between 25,000 and 500,000 pounds. No industrial

processing and uses were reported in the IU R submissions for this chemical. Also, no

commercial and consumer uses were reported in the IUR submissions for this chemical.

2-Butenedioic acid (2Z)-, 1,4-ditridecyl ester (61791-92-2): Acco rding to the 2006 IUR

submissions, 2-Butenedioic acid (2Z)-, 1,4-ditr idecyl ester had aggregated production and/or

import volume(s) in the United States between 25,000 and 500,000 pounds. No industrial

processing and uses were reported in the IUR s ubmissions for this chemical. Additionally, no

commercial and consumer uses were reported in the IUR submissions for this chemical.

IUR Information for the High Production Volu me (HPV) Butenedioic acid dialkyl esters

(CASRN 621-13-6, 68610-90-2, 68921-51-7)

2-Butenedioic acid (2Z)-, 1,4-dicyclohexyl ester (621-13-6): Acco rding to the 2006 IUR

submissions, 2-Butenedioic acid (2Z)-, 1,4-dicycl ohexyl ester had aggregated production and/or

import volume(s) in the United States betw een 1 and 10 million pounds. Non-confidential

industrial processing and uses re ported in the IUR submissions for this chemical include

intermediate in other basic or ganic chemical manufacturing.

Non-confidential commercial and consumer uses were reported as “other”.

2-Butenedioic acid (2E)-, di-C8-18-alkyl es ters (686140-90-2): Accord ing to the 2006 IUR

submissions, 2-Butenedioic acid (2E)-, di-C8-18- alkyl esters had aggreg ated production and/or

import volume(s) in the United States betw een 1 and 10 million pounds. Non-confidential

industrial processing and uses re ported in the IUR submissions for this chemical include

lubricant in other basic orga nic chemical manufacturing.

No commercial and consumer uses were reporte d in the IUR submissions for this chemical.

2-Butenedioic acid (2E)-, di-C12-18-alkyl esters (68921-51-7): Acco rding to the 2006 IUR

submissions, 2-Butenedioic acid (2E)-, di-C12-18-a lkyl esters had aggreg ated production and/or

import volume(s) in the United States betw een 1 and 10 million pounds. Non-confidential

industrial processing and uses re ported in the IUR submissions for this chemical include

lubricant in other basic orga nic chemical manufacturing.

No commercial and consumer uses were reporte d in the IUR submissions for this chemical.

8. REGULATORY AND RELATED INFORMATION SUMMARY

• All cluster members ar e listed on the TSCA Inventory and are not otherwise regulated under

TSCA.

• One cluster member, 2-butenedioic acid (2E) -, di-C8-18-alkyl este rs (686140-90-2), was

included in a TSCA section 8(a) reporti ng rule for voluntary HPV challenge orphan

chemicals, resulting in a requirement at 40 CFR §712.30 for submission of a Preliminary

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

10 Assessment Information Manufacturers Report by November 28, 2006. This chemical will

continue to be the subject of follow-up by EPA under the orphan strategy described in

Appendix 5 of the HPV Challenge Report. 5



# 9. INITIAL PRIORITIZATION DECISION FOR:

MPV Chemical(s)

CAS Registry Number CA Index Name

141-02-6 2-Butenedioic acid (2E )-, 1,4-bis(2-ethylhexyl) ester

141-05-9 2-Butenedioic acid (2Z)-, 1,4-diethyl ester

2915-52-8 2-Butenedioic acid (2Z)-, 1,4-didodecyl ester

14234-82-3 2-Butenedioic acid (2Z )-, 1,4-bis(2-methylpropyl) ester

53817-54-2 2-Butenedioic acid (2Z)-, 1,4-diisononyl ester

61791-92-2 2-Butenedioic acid (2 Z)-, 1,4-ditridecyl ester

624-48-6 2-Butenedioic acid (2Z)-, 1,4-dimethyl ester

HPV Chemical(s)

CAS Registry Number CA Index Name

621-13-6 2-Butenedioic acid (2 Z)-, 1,4-dicyclohexyl ester

68610-90-2 2-Butenedioic acid (2 E)-, di-C8-18-alkyl esters

68921-51-7 2-Butenedioic acid (2 E)-, di-C12-18-alkyl esters

Rationale and Uncertainties Considered in Prioritization Decision:

• Available estimated and experimental data indicate moderate to high acute and chronic

aquatic toxicity for 141-05-9, 623-91- 6, 14234-82-3, 105-76-0, 621-13-6, 105-52-2, 141-02-

6, and 142-16-5. Recognizing the low persiste nce and low bioaccumulation potential for

these chemicals, information concerning fre quency of releases to water and resultant

exposures would be useful in determining th e extent of potential concern for aquatic

organisms.

5 

# Status and Future Directions of the High Production Volume Challenge Program US EPA, HPV Challenge

Program Report: http://www.epa.gov/hpv/pubs/general/hpvreport.pdf

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

11 • Measured data indicate many members are expected to be irritating to the eyes and skin and

skin sensitizers. The lowest molecular weig ht cluster member (624-48-6) showed moderate

acute toxicity via the dermal route in rabbits and moderate repeated-dose toxicity via the

dermal route in rats. This chemical also has a moderate vapor pressure. Additionally,

chemical 623-91-6 showed moderate repeated-d ose toxicity via the oral route in rats.

Information received for cluster member 2-buten edioic acid (2E)-, di-C8-18-alkyl esters

(686140-90-2) under 40 CFR §712.30 confirmed the chemical’s HPV status and indicated

that there may be substantial consumer e xposure. Therefore, information concerning

occupational exposures and use of all the clus ter members in consumer products would be

useful in determining the extent of potential concern for workers, consumers and children.

Prioritization Decision:

HIGH PRIORITY: Need exposure information to determine next steps.

• Recognizing the potential concerns for ecotoxic ity for specific members of the cluster along

with concerns for many human health effects a nd mixed results from current toxicity studies,

the chemicals in this cluster, with the excepti on of 2-butenedioic acid (2E)-, di-C8-18-alkyl

esters (686140-90-2) should be referred to the Interagency Testing Committee (ITC) as

candidates for the collection of exposure-related informa tion and unpublished health and

safety studies.

• Review of exposure data for the other cluste r members may allow EPA to determine whether

additional toxicity data may be warranted.If no units provided - endpoint is unitlessNext 6Table AP-Chem Properties and Environmental FateButenedioic acid dialkyl esters (14)StateLiquid Liquid Liquid Liquid Liquid Solid Liquid LiquidMelting Point (oC)-19-10.460.2<-6080Boiling Point (oC)205223218254.3277 (d)168290>370Vapor Pressure (hPaat 25oC)0.280.142.60.03>0.00750.630.004<4.8E-05Water Solubility(mg/L)8000014003100301730.170.159<0.0025log Kow0.82.22.1243.385.85.8>8.1Koc10101074110120064013000pKA/pKBHLC (atm-m3/mole)7.1E-072.4E-072.4E-071.4E-073.7E-071.4E-082.4E-061.5E-06Hydrolysis50%/120d50%/100d50%/10d50%/190d50%/120d50%/420d50%/4500d50%/270dPhotolysis50%/2.2d50%/2818d50%/6.9dPhotooxidation (halflife days)1.51.10.960.670.670.350.460.38Readily BiodegYesYesYesYesYesYesYesYesRapid BiodegYesYesYesYesYesYesYesYesUltimate Biodegweeksweeksweeksweeksdays-weeksweeksweeksdays-weeksAerobic Biodeg90%/8d98%/28d95%/19d67%/28dAnaerobic BiodegOther FateFugacityAir (%)2.40.421.60.91.80.180.931.3Water (%)3832372628182527Soil (%)6067627370817471Sediment (%)0.090.070.080.130.150.740.570.9BCF3.21313206111.6129013300986BAF132.8138.7583510CASRN624-48-6 141-05-9 623-91-6 14234-82-3 105-76-0 621-13-6 105-52-2 68610-90-2Molecular Weight144.1283 172.178172.178228.285228.285 280.3673 284.391340.497Production VolumeIf no units provided - endpoint is unitlessPrevious 8Table AP-Chem Properties and Environmental FateButenedioic acid dialkyl esters (14)CASRN141-02-6 142-16-5 53817-54-2 2915-52-8 61791-92-2 68921-51-7Molecular Weight340.497340.497368.551452.71480.763536.87Production VolumeStateLiquid Liquid Liquid Solid Solid SolidMelting Point (oC)-10-6028Boiling Point (oC)364.8338.6380423.2490>540Vapor Pressure (hPa at25oC)7.9E-050.012.9E-052.8E-068.5E-09<1.8E-10Water Solubility (mg/L)10012.83.4E-042.3E-077.5E-09<6.9E-11log Kow7.97.888.91213>15Koc1400011000300001600000520000057000000pKA/pKBHLC (atm-m3/mole)7.3E-067.32E-064.5E-062.5E-054.9E-051.9E-04Hydrolysis50%/190d50%/190d50%/120d50%/270d50%/270d50%/270dPhotolysis50%/0.2dPhotooxidation (half-lifedays)0.360.370.350.280.260.22Readily BiodegYesYesYesYesYesYesRapid BiodegYesYesYesYesYesYesUltimate Biodegdays-weeksdays-weeksweeks-monthsweeksweeksweeksAerobic Biodeg72%/28dAnaerobic BiodegOther FateFugacityAir (%)1.31.30.3220.550.420.38Water (%)272718242222Soil (%)717181767777Sediment (%)11.20.730.020.00680.00082BCF1164124838446153.2BAF12133.91.61.30.98Table BAquatic ToxicityButenedioic acid dialkyl esters (14)CASRN624-48-6 141-05-9 623-91-6 14234-82-3 105-76-0 621-13-6 105-52-2 68610-90-2Molecular Weight144.1283 172.178 172.178 228.285 228.285 280.3673 284.391340.497ProductionVolumeStateLiquid Liquid Liquid Liquid Liquid Solid Liquid LiquidACUTEFish (mg/L)1293182.43.31.20.14<1.20.000000000016(NES)FreshwaterfishPimephalespromelasFreshwaterfishFreshwaterfishOncorhynchusmykissFreshwaterfishOncorhynchusmykissFreshwater fish96h LC5096h LC5072h LC5096h LC5096h LC5096h LC5096h LC5096h LC50NeutralOrganic SARNeutralOrganic SARNeutralorganicsNeutral OrganicSARInvertebrate(mg/L)64111112.4210.13<210.14(NES)DaphniamagnaDaphniamagnaDaphniamagnaDaphniamagnaDaphniamagnaDaphniamagnaDaphniamagnaDaphnia magna48h LC5072h LC5072h LC5048h LC5048h EC5048h LC5048h EC5048h LC50NeutralOrganic SARNeutralOrganic SARNeutralorganicsNeutral OrganicSARAlgae (mg/L)1651.11.12.46.20.26<6.20.14(NES)Green AlgaeGreen AlgaeGreen AlgaeGreen AlgaeScenedesmussubspicatusGreen AlgaeScenedesmussubspicatusGreen Algae96h EC5072h EC5072h EC5096h EC5072h LC5096h EC5072h EC5096h EC50NeutralOrganic SARNeutralOrganic SARNeutralorganicsNeutral OrganicSARCHRONICFish (mg/L)1268.6100.31.10.0130.0110.0000000000011(NES)FreshwaterfishFreshwaterfishFreshwaterfishFreshwaterfishFreshwaterfishFreshwaterfishFreshwaterfishFreshwater fishChVChVChVChVChVChVChVChVNeutralOrganic SARNeutralOrganic SARNeutralOrganic SARNeutralOrganic SARNeutralOrganic SARNeutralOrganic SARNeutralOrganics SARNeutral OrganicSARInvertebrate(mg/L)471.51.50.310.960.240.0210.0000000001(NES)DaphniamagnaDaphniamagnaDaphniamagnaDaphniamagnaDaphniamagnaDaphniamagnaDaphniamagnaDaphnia magnaChV21d EC5021d EC50ChVChVChVChVChVNeutralOrganic SARNeutralOrganic SARNeutralOrganic SARNeutralOrganic SARNeutralOrganic SARNeutral OrganicSARAlgae (mg/L)479.4101.22.90.190.110.00000013(NES)Green AlgaeGreen AlgaeGreen AlgaeGreen AlgaeGreen AlgaeGreen AlgaeGreen AlgaeGreen AlgaeChVChVChVChVChVChVChVChVNeutralOrganic SARNeutralOrganic SARNeutralOrganic SARNeutralOrganic SARNeutralOrganic SARNeutralOrganic SARAcrylatesNeutral OrganicSARPrevious 8Table BAquatic ToxicityButenedioic acid dialkyl esters (14)CASRN141-02-6 142-16-5 53817-54-2 2915-52-8 61791-92-2 68921-51-7Molecular Weight340.497340.497368.551452.71480.763536.87ProductionVolumeStateLiquid Liquid Liquid Solid Solid SolidACUTEFish (mg/L)<1.2<1.20.00039(NES)0.0000012(NES)0.00000018(NES)0.000000000000058(NES)OncorynchusmykissOncorhynchusmykissFreshwaterfishFreshwaterfishFreshwaterfishFreshwater fish96h LC5096h LC5096h LC5096h LC5096h LC5096h LC50NeutralorganicsNeutralorganicsNeutralorganicsNeutral OrganicSARInvertebrate(mg/L)<21<210.00052(NES)0.0000022(NES)0.0000004(NES)0.00000000000034(NES)DaphniamagnaDaphniamagnaDaphniamagnaDaphniamagnaDaphniamagnaDaphnia magna48h LC5048h EC5048h LC5048h LC5048h LC5048h LC50NeutralorganicsNeutralorganicsNeutralorganicsNeutral OrganicSARAlgae (mg/L)<6.2<6.20.004(NES)0.000059(NES)0.000015(NES)0.00000000033(NES)ScenedesmussubspicatusScenedesmussubspicatusGreen AlgaeGreen AlgaeGreen AlgaeGreen Algae72h LC5072h EC5096h EC5096h EC5096h EC5096h EC50NeutralorganicsNeutralorganicsNeutralorganicsNeutral OrganicSARCHRONICFish (mg/L)0.00020.000230.000032(NES)0.000000088(NES)0.000000014(NES)3.7E-15(NES)FreshwaterfishFreshwaterfishFreshwaterfishFreshwaterfishFreshwaterfishFreshwater fishChVChVChVChVChVChVNeutralorganicsNeutralorganicsNeutralorganicsNeutralorganicsNeutralorganicsNeutral OrganicSARInvertebrate(mg/L)0.30.30.00016(NES)0.0000012(NES)0.00000026(NES)0.00000000000087(NES)DaphniamagnaDaphniamagnaDaphniamagnaDaphniamagnaDaphniamagnaDaphnia magna21d LOEC21d LOECChVChVLC50ChVNeutralorganicsNeutralorganicsNeutralorganicsNeutral Organic ARAlgae (mg/L)0.0150.0170.005(NES)0.00013(NES)0.000042(NES)0.0000000038(NES)Green AlgaeGreen AlgaeGreen AlgaeGreen AlgaeGreen AlgaeGreen AlgaeChVChVChVChVChVChVNeutralorganicsNeutralorganicsNeutralorganicsNeutralorganicsNeutralorganicsNeutral OrganicSARNext 6Table CHuman HealthButenedioic acid dialkyl esters (14)CASRN624-48-6 141-05-9 623-91-6 14234-82-3 105-76-0 621-13-6 105-52-2 141-02-6Molecular Weight144.1283 172.178172.178228.285228.285 280.3673 284.391340.497Production VolumeStateLiquid Liquid Liquid Liquid Liquid Solid Liquid LiquidAcute610mg/kg3200mg/kg1367mg/kg3730mg/kg7460mg/kg29200mg/kgRabbitRatRatRatRatRatRepeat Dose60mg/kg/day30mg/kg/day30mg/kg/day300mg/kg/day300mg/kg/day300mg/kg/dayRatRatRatRatRatRat28d6wk6wkReproductive100mg/kg/day100mg/kg/day300mg/kg/day300mg/kg/day300mg/kg/dayRatRatRatRatRatDevelopmental300mg/kg/day300mg/kg/day300mg/kg/dayRatRatRatGenotoxicityCancerEye IrritationRabbitRabbitRabbitRabbitSkin IrritationRabbitRatSkin SensitizationGuinea PigGuinea PigGuinea PigGuinea PigOther ToxicityPrevious 8Table CHuman HealthButenedioic acid dialkyl esters (14)CASRN142-16-5 68610-90-2 53817-54-2 2915-52-8 61791-92-2 68921-51-7Molecular Weight340.497340.497368.551452.71480.763536.87Production VolumeStateLiquid Liquid Liquid Solid Solid SolidAcute>9440mg/kg>5000mg/kgRatRatRepeat Dose300mg/kg/dayRatReproductive300mg/kg/dayRatDevelopmental300mg/kg/dayRatGenotoxicityCancerEye IrritationRabbitSkin IrritationRabbitSkin SensitizationGuinea PigOther ToxicityNext 6Table DOverall Hazard CharacterizationButenedioic acid dialkyl esters (14)CASRN624-48-6 141-05-9 623-91-6 14234-82-3 105-76-0 621-13-6 105-52-2 68610-90-2Molecular Weight144.1283 172.178 172.178 228.285 228.285 280.3673 284.391 340.497Production VolumeStateLiquid Liquid Liquid Liquid Liquid Solid Liquid LiquidEnvironmentalPersistenceBioaccumulationAquatic ToxicityAcuteChronicHuman HealthEffectsAcute ToxicityRepeated-DoseReproductiveDevelopmentalGenotoxicityCancer HazardEye IrritationSkin IrritationSkin SensitizationPrevious 8Table DOverall Hazard CharacterizationButenedioic acid dialkyl esters (14)CASRN141-02-6 142-16-5 53817-54-2 2915-52-8 61791-92-2 68921-51-7Molecular Weight340.497340.497368.551452.71480.763536.87Production VolumeStateLiquid Liquid Liquid Solid Solid SolidEnvironmentalPersistenceBioaccumulationAquatic ToxicityAcuteChronicHuman Health EffectsAcute ToxicityRepeated-DoseReproductiveDevelopmentalGenotoxicityCancer HazardEye IrritationSkin IrritationSkin Sensitization

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

12 REFERENCES

PCHEM/FATE

Melting Point

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

141026 PhysProp

141059 Beilstein Crossfire

142165 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

621136 Beilstein Crossfire

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 Beilstein Crossfire

2915528 Beilstein Crossfire

Boiling Point

105522 EPISuite ver 4.0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

141026 Beilstein Crossfire

141059 Beilstein Crossfire

142165 Beilstein Crossfire

621136 Beilstein Crossfire

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 Beilstein Crossfire

2915528 Beilstein Crossfire

14234823 Beilstein Crossfire

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

13 Vapor Pressure

105522 EPISuite ver 4.0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

141026 EPISuite ver 4.0

141059 PhysProp

142165 IUCLID

621136 EPISuite ver 4.0

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 IUCLID

2915528 EPISuite ver 4.0

14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

Water Solubility

105522 PhysProp

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

141026 PhysProp

141059 PhysProp

142165 IUCLID

621136 EPISuite ver 4.0

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 IUCLID

2915528 EPISuite ver 4.0

14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

14 61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

Log Kow

105522 EPISuite ver 4.0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

141026 EPISuite ver 4.0

141059 PhysProp

142165 IUCLID

621136 EPISuite ver 4.0

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 IUCLID

2915528 EPISuite ver 4.0

14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

Koc

105522 EPISuite ver 4.0

105760 EPISuite ver 4.0

141026 EPISuite ver 4.0

141059 EPISuite ver 4.0

142165 EPISuite ver 4.0

621136 EPISuite ver 4.0

623916 EPISuite ver 4.0

624486 EPISuite ver 4.0

2915528 EPISuite ver 4.0

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

15 14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

Henry's Law

Constant

105522 PhysProp

105760 PhysProp

141026 PhysProp

141059 PhysProp

142165 PhysProp

621136 EPISuite ver 4.0

623916 PhysProp

624486 PhysProp

2915528 EPISuite ver 4.0

14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

Hydrolysis

105522 EPISuite ver 4.0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

141026 EPISuite ver 4.0

141059 EPISuite ver 4.0

142165 EPISuite ver 4.0

621136 EPISuite ver 4.0

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

16 624486 EPISuite ver 4.0

2915528 EPISuite ver 4.0

14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

Photolysis

105760 IUCLID

142165 IUCLID

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 IUCLID

Photooxidation

105522 EPISuite ver 4.0

105760 EPISuite ver 4.0

141026 EPISuite ver 4.0

141059 EPISuite ver 4.0

142165 EPISuite ver 4.0

621136 EPISuite ver 4.0

623916 EPISuite ver 4.0

624486 EPISuite ver 4.0

2915528 EPISuite ver 4.0

14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

Ready

Biodegradation

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

17 105522 EPISuite ver 4.0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

141026 EPISuite ver 4.0

141059 EPISuite ver 4.0

142165 EPISuite ver 4.0

621136 EPISuite ver 4.0

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 EPISuite ver 4.0

2915528 EPISuite ver 4.0

14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

Rapid

Biodegradation

105522 EPISuite ver 4.0

105760 EPISuite ver 4.0

141026 EPISuite ver 4.0

141059 EPISuite ver 4.0

142165 EPISuite ver 4.0

621136 EPISuite ver 4.0

623916 EPISuite ver 4.0

624486 EPISuite ver 4.0

2915528 EPISuite ver 4.0

14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

18 68921517 EPISuite ver 4.0

Ultimate

Biodegradation

105522 EPISuite ver 4.0

105760 EPISuite ver 4.0

141026 EPISuite ver 4.0

141059 EPISuite ver 4.0

142165 EPISuite ver 4.0

621136 EPISuite ver 4.0

623916 EPISuite ver 4.0

624486 EPISuite ver 4.0

2915528 EPISuite ver 4.0

14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

Aerobic

Biodegradation

105760 OECD SIAR and SIAP:

http://www.chem.unep.ch/ir ptc/sids/OECDSIDS/105760.pdf

142165 IUCLID

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 IUCLID

68610902 IUCLID

Fugacity

105522 EPISuite ver 4.0

105760 EPISuite ver 4.0

141026 EPISuite ver 4.0

141059 EPISuite ver 4.0

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

19 142165 EPISuite ver 4.0

621136 EPISuite ver 4.0

623916 EPISuite ver 4.0

624486 EPISuite ver 4.0

2915528 EPISuite ver 4.0

14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

BCF

105522 EPISuite ver 4.0

105760 OECD SIAR and SIAP:

http://www.chem.unep.ch/ir ptc/sids/OECDSIDS/105760.pdf

141026 EPISuite ver 4.0

141059 EPISuite ver 4.0

142165 EPISuite ver 4.0

621136 EPISuite ver 4.0

623916 EPISuite ver 4.0

624486 EPISuite ver 4.0

2915528 EPISuite ver 4.0

14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

BAF

105522 EPISuite ver 4.0

105760 EPISuite ver 4.0

141026 EPISuite ver 4.0

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

20 141059 EPISuite ver 4.0

142165 EPISuite ver 4.0

621136 EPISuite ver 4.0

623916 EPISuite ver 4.0

624486 EPISuite ver 4.0

2915528 EPISuite ver 4.0

14234823 EPISuite ver 4.0

53817542 EPISuite ver 4.0

61791922 EPISuite ver 4.0

68610902 EPISuite ver 4.0

68921517 EPISuite ver 4.0

ECOTOXICITY

Acute Fish

105522 Read Across based on CASRN 105-76-0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

141026 Read Across based on CASRN 105-76-0

141059 Canada DSL

142165 Read Across based on CASRN 105-76-0

621136 ECOSAR v.1.00

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 ECOSAR v.1.00

2915528 ECOSAR v.1.00

14234823 ECOSAR v.1.00

53817542 ECOSAR v.1.00

61791922 ECOSAR v.1.00

68610902 Read Across based on Daphnid 68610-90-2

68921517 ECOSAR v.1.00

Acute Daphnid

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

21 105522 Read Across based on CASRN 105-76-0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

141026 Read Across based on CASRN 105-76-0

141059 Read Across based on 623-91-6

142165 Read Across based on CASRN 105-76-0

621136 ECOSAR v.1.00

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 ECOSAR v.1.00

2915528 ECOSAR v.1.00

14234823 ECOSAR v.1.00

53817542 ECOSAR v.1.00

61791922 ECOSAR v.1.00

68610902 ECOSAR v.1.00

68921517 ECOSAR v.1.00

Acute Algae

105522 Read Across based on CASRN 105-76-0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

141026 ECOSAR v.1.00

141059 Read Across based on 623-91-6

142165 ECOSAR v.1.00

621136 ECOSAR v.1.00

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 ECOSAR v.1.00

2915528 ECOSAR v.1.00

14234823 ECOSAR v.1.00

53817542 ECOSAR v.1.00

61791922 ECOSAR v.1.00

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

22 68610902 ECOSAR v.1.00

68921517 ECOSAR v.1.00

Chronic Fish

105522 ECOSAR v.1.00

105760 ECOSAR v.1.00

141026 ECOSAR v.1.00

141059 ECOSAR v.1.00

142165 ECOSAR v.1.00

621136 ECOSAR v.1.00

623916 ECOSAR v.1.00

624486 ECOSAR v.1.00

2915528 ECOSAR v.1.00

14234823 ECOSAR v.1.00

53817542 ECOSAR v.1.00

61791922 ECOSAR v.1.00

68610902 ECOSAR v.1.00

68921517 ECOSAR v.1.00

Chronic Daphnid

105522 ECOSAR v.1.00

105760 ECOSAR v.1.00

141026 Read Across based on 623-91-6

141059 Read Across based on 623-91-6

142165 IUCLID

621136 ECOSAR v.1.00

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 ECOSAR v.1.00

2915528 ECOSAR v.1.00

14234823 ECOSAR v.1.00

53817542 ECOSAR v.1.00

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

23 61791922 ECOSAR v.1.00

68610902 ECOSAR v.1.00

68921517 ECOSAR v.1.00

Chronic Algae

105522 ECOSAR v.1.00

105760 ECOSAR v.1.00

141026 ECOSAR v.1.00

141059 ECOSAR v.1.00

142165 ECOSAR v.1.00

621136 ECOSAR v.1.00

623916 ECOSAR v.1.00

624486 ECOSAR v.1.00

2915528 ECOSAR v.1.00

14234823 ECOSAR v.1.00

53817542 ECOSAR v.1.00

61791922 ECOSAR v.1.00

68610902 ECOSAR v.1.00

68921517 ECOSAR v.1.00

HUMAN HEALTH

Acute Toxicity

105522 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

141026 ChemID

141059 ChemID

142165 USEPA, Risk-based Prioriti zation Doc., Supporting Docs. 2008

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 ChemID

68610902 IUCLID

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

24 Repeat Dose

Toxicity

105522 Read Across from 105-76-0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

142165 Read Across from 105-76-0

141026 Read Across from 105-76-0

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 IUCLID

141059 Read Across from 623-91-6

Reproductive

Toxicity

105522 Read Across from 105-76-0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

142165 Read Across from 105-76-0

623916 OECD-SIAR

141059 Read Across from 623-91-6

141026 Read Across from 105-76-0

Developmental

Toxicity

105522 Read Across from 105-76-0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

142165 Read Across from 105-76-0

141026 Read Across from 105-76-0

Genotoxicity

105522 Read Across from 105-76-0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

141059 CCRIS

# U.S. Environmental Protection Agency March 2009

Hazard-Based Prioritization

25 142165 Read Across from 105-76-0

623916 OECD 1996 SIAR and SIAP:

http://www.chem.unep.ch/irptc/ sids/OECDSIDS/FUMARATE.pdf

624486 IUCLID

141026 Read Across from 105-76-0

Skin Irritation

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

142165 IUCLID

624486 IUCLID

Eye Irritation

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

142165 IUCLID

624486 IUCLID

141026 Read Across from 105-76-0

105522 Read Across from 105-76-0

Skin Sensitization

105522 Read Across from 105-76-0

105760 USEPA 2008 Risk-based Prioritization Document:

http://www.epa.gov/hpvis/rbp/Cat _Diesters_Web_SuppDocs_Sept2008.pdf

142165 USEPA Read Across from 105-76-0

624486 IUCLID

141026 Read Across from 105-76-0