HIGH PRODUCTION VOLUME (HPV) CHALLENGE PROGRAM
TEST PLAN
FOR
ALDEHYDES, C4, SELF-CONDENSATION PRODUCkS, HIGH-BOILlNG FRACTION
(CAS NO.: 68990-21-6)
PREPARED BY:
EASTMAN CHEMICAL COMPANY
August 29,2002
TEST PLAN SUMMARY
The Eastman Chemical Company hereby submit for review and public comment the test plan for aldehydes, C4,
self-condensation products, high-boiling fraction (Solvent C; CAS NO.: 68990-21-6) under the Environmental
Protection Agency's (EPA) High Production Volume (HPV) Chemical Challenge Program. It is the intent of our
company to use existing data already generated on either the constituents of Solvent C or expected metabolites of
them in conjunction with EPA-acceptable predictive computer models to adequately fulfill the Screening
Information Data Set (SIDS) for the physicochemical, environmental fate, ecotoxicity test, and human health effects
endpoints. We believe that the information already available, or in the process of being generated, are adequate to
fulfill all the requirements of the HPV program without need for the conduct of any new or additional tests.
Solvent C is essentially manufactured and handled in closed-systems with minimal chance for exposure in the
workplace or to the general population. The primary use (approximately 93%) of this product is as a fuel for
burning. In this application, product is either shipped by tank truck to other sites within the company where it is
burned directly or marketed to a few customers where it is blended at a level of less than 1% into fuel oils used by
consumers to burn for home heating. Other minor or occasional uses of this product include its use as a solvent in
asphalt production and as part of a process solvent in the industrial extraction of phosphoric acid from rock. This
latter end-use is also performed in closed systems. Thus, there is essentially no exposure to this chemical by the
general public and in industrial settings, exposure is minimized by how it is manufactured and handled. There are a
very limited number of customers using Solvent C with the potential for exposure only manifested during its transfer
to and from tank trucks or under conditions of an industrial accident. In total, exposure to Solvent C is very limited
in both its potential duration and frequency.
Solvent C is described as a yellow-green liquid. It is a Class 2 chemical consisting of approximately 10 major
chemicals consisting of the CAS registry numbers displayed below in Table 1 and their approximate percentages.
Of these 10 major constituents, 7 have already been, or are in the process of being, evaluated through the OECD or
ICCA SIDS program, or the US HPV program. Of the remaining three not in a formalized HPV program, one, butyl
butyrate, has been approved by the FDA as a synthetic flavoring agent for food under 21CFR 172.515 and is found
naturally in many types of fruits. This compound is formed through an ester linkage between n-butanol and butyric
acid. It would be expected that this ester linkage would readily be cleaved to yield the parent molecules butyric acid
and butanol, both of which are in the ICCA SIDS program. A second nonHPV chemical, 2-ethyl-1,3-hexanediol
was at one time registered with the EPA for use as an insect repellant for use by humans and has a history of use in
cosmetics and other industrial applications. Thus, significant amounts of toxicity information have already been
developed and are available to the public either through the EPA or in peer-reviewed journals. This chemical is only
present at a maximum concentration of 10%. Thus, data are currently available for public review on the majority of
the chemicals comprising Solvent C with most of this information in summary format. The third nonHPV chemical,
di-2-ethylhexyl ether, is listed by the EPA as a Class 3 inert ingredient for use in pesticides. The EPA's Office of
Pesticide Programs has contracted a Structure Activity Team (SAT) to prepare toxicological and ecological
assessments for these inert ingredients. While there is essentially no mammalian toxicity data identified on it, it is
not acutely toxic with a reported LD50 of 34 gm/kg. Another chemical found within Solvent C is listed as "alkyl
acetals". These chemicals comprise a small portion of the total (2-10%) and are formed by a reaction between
alcohols and aldehydes. The reaction is readily reversed in the presence of an acid.
In conclusion, Solvent C is a complex mixture of several chemicals. It is manufactured, handled, and marketed into
end uses in such a manner that, except under conditions of an accident, exposures are very limited. Hazard
assessment information in the form of robust summaries or as published literature for most all the SIDS endpoints
are either currently available or will be made publicly available through various ongoing HPV programs. This
information adequately characterizes the hazard potential for the majority of the chemical constituents in Solvent C
and thus would likely represent the potential hazards of Solvent C. The goal of the HPV program is to have a
screening level of understanding of the hazards presented by a chemical available to the public. Eastman believes
the data identified to date that are presently available to the EPA and the general public, in total, fulfill this objective
and that further toxicity studies would not be warranted on a chemical mixture who constituents vary and has such
low potential for human exposure. Accordingly, Eastman believes that the obligations of our commitment to this
chemical in the HPV challenge program have been completed through this submission.
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Table 1 - Solvent C (CAS No.:68990-21-61
Composition General Comments
Chemical
Cas No.
Percentage
25-35 The only data located was an LD50 that indicates it is
10143-60-9 di-2-Ethylhexyl ether
of low toxicity (LD5a of 33.9 g/kg; Smyth, H.F., 1954).
It is listed by the EPA as a Class 3 inert ingredient for
use in pesticide formulations. The EPA is in the
process of preparing toxicological and ecological
assessments for this class level of inert ingredients.
8-16 Material is an FDA-approved food flavorant and is
109-21-7 Butyl butyrate
naturally present in many types of fruits. It is fully
expected to metabolize to butyric acid and n-butanol in
mammals. Both these chemicals are in the ICCA HPV
program.
7-11 An OECD/SIDS assessment has been completed.
Neopentyl glycol
126-30-7
7-11 A complete test plan with robust summaries for all end
144-19-4 2,2,4-Trimethyl-1,3-
points has been submitted into the EPA as part of the
pentanediol
HPV program.
n-butyl alcohol 5-10 Material is in the ICCASIDS program.
71-36-3
Material has been thoroughly characterized for use as
2-Ethyl- 1,3-hexanediol 5-10
94-96-2
an insect repellant for human uses. Although its
registration has been cancelled, essentially all SIDS
data are available through published literature.
Alkyl Acetals 2-10 Formed by a reaction between alcohols and aldehydes.
NA
The reaction is readily reversed in the presence of an
acid.
4-6 An OECDSIDS assessment has been completed.
104-76-7 2-Ethylhexanol
Isobutyl alcohol 2-6 Material is in the ICCASIDS program.
78-83-l
2-6 Material is in the ICCAKIDS program.
Isobutyl isobutyrate
97-85-8
1-1 nn I T, , .- -`1 1') 1 r-r--:., z- I- LL- TcTT( A /OTT-.0 .. .._ - _.^_
--
SIDS DATA SUMMARY
Solvent C is a mixture of several chemicals, the majority of which have already been or are in the process of being
evaluated in the OECD SIDS program, the ICCA SIDS program, or the US EPA HPV program. Accordingly, it
should be assumed that they already have or will have complete data sets and have robust summaries available as a
result of their participation in these programs. Another chemical, 2-ethyl-1,3-hexanediol, present at a level of 5-
10% has data assessing all of the mammalian endpoints available to the public via peer-reviewed journals. This is
the only other chemical with significant amounts of data that can be used to assist in determining the hazard
potential of the mixture. However, since it only constitutes a small fraction of the total its toxicity is not likely to
impact the overall toxicity in a significant manner and all data available indicate it is of low toxicity to both
mammalian and environmental species. Since Solvent C consists of many chemicals present in varying amounts it
is not known how the various SIDS endpoints will be affected by their presence as a mixture. Due to the fact that
the actual percentage of each chemical can vary, Eastman believes there would be little value in conducting any new
animal studies on Solvent C when the hazard associated with the majority of its constituents have been already
assessed.
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PHYSICAL CHEMICAL DATA
Cas No. Chemical Melting Boiling Vapor Partition Water
Point* Point Pressure Coefficient Solubility
10143-60-9 di-2-Ethylhexyl ether NA X X X X
109-21-7 Butyl butyrate NA X X X X
126-30-7 Neopentyl glycol NA X X X X
144-19-4 2,2,4-Trimethyl-1,3-pentanediol NA X X X X
71-36-3 n-butyl alcohol NA X X X X
94-96-2 2-Ethyl-1,3-hexanediol NA X X X X
NA Alkyl Acetals NA
104-76-7 2-Ethylhexanol NA X X X X
78-83-1 Isobutyl alcohol NA X X X X
97-85-8 Isobutyl isobutyrate NA X X X X
107-92-6 Butyric acid NA X X X X
* Material is a liquid at room temperature
Data for these endpoints can be found within the various SIDS documents already drafted or in the process of being
developed for the OECD, ICCA or US EPA HPV programs. In addition, data are available through the use of
computer estimation modeling programs (EPIWIN) that are available to the public.
ENVIRONMENTAL FATE
Cas No. Chemical Photo- Water Biodegradation Fugacity
degradation Stability
10143-60-9 di-2-Ethylhexyl ether X X
109-21-7 Butyl butyrate X X X
126-30-7 Neopentyl glycol X X X X
144-19-4 2,2,4-Trimethyl-1,3-pentanediol X X X X
71-36-3 n-butyl alcohol X X X X
X1
94-96-2 2-Ethyl-1,3-hexanediol X X X
NA Alkyl Acetals
104-76-7 2-Ethylhexanol X X X X
78-83-1 Isobutyl alcohol X X X X
97-85-8 Isobutyl isobutyrate X X X X
107-92-6 Butyric acid X X X X
Data for these endpoints can be found within the various SIDS documents already drafted or in the process of being
developed for the OECD, ICCA or US EPA HPV programs. In addition, data are available through the use of
computer estimation modeling programs (EPIWIN) that are available to the public.
1.) Data (OECD 301E and 302B) listed in a MSDS from Dixie Chemical Company, Inc. Houston , TX indicate this
material is readily degradable.
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ECOTOXICITY DATA
Cas No. Chemical Fish Toxicity Daphnia Toxicity Algae Growth
Inhibition
10143-60-9 di-2-Ethylhexyl ether
X1
109-21-7 Butyl butyrate
126-30-7 Neopentyl glycol X X X
144-19-4 2,2,4-Trimethyl-1,3-pentanediol X X X
71-36-3 n-butyl alcohol X X X
X2 X2
94-96-2 2-Ethyl-1,3-hexanediol
NA Alkyl Acetals
104-76-7 2-Ethylhexanol X X X
78-83-1 Isobutyl alcohol X X X
97-85-8 Isobutyl isobutyrate X X X
107-92-6 Butyric acid X X X
Data for these endpoints can be found within the various SIDS documents already drafted or in the process of being
developed for the OECD, ICCA or US EPA HPV programs. In addition, data could be generated through the use of
computer estimation models that are available to the public.
1.) Curtis, M.W. and Ward C.H. (1981). Aquatic Toxicity of Forty Industrial Chemicals: Testing in Support of
Hazardous Substance Spill Prevention Regulation. J Hydrology, 51, 359-367.
2.) Data (LC0(48hr) Fish > 1000 mg/L; EC50(24 hr) Daphnia 811 mg/L) listed in a MSDS from Dixie Chemical
Company, Inc. Houston , TX
TOXICOLOGICAL DATA
Cas No. Chemical Acute Repeat Genotoxicity Developmental Reproductive
Toxicity Dose Mut./Aberr. Toxicity Toxicity
Toxicity
X1
10143-60-9 di-2-Ethylhexyl ether
X2 X3 X/X3 X3 X3
109-21-7 Butyl butyrate
126-30-7 Neopentyl glycol X X X/X X X
144-19-4 2,2,4-Trimethyl-1,3- X X X/X X X
pentanediol
71-36-3 n-butyl alcohol X X X/X X X
X4 X5,6 X/X7 X8 X5,6
94-96-2 2-Ethyl-1,3-hexanediol
NA Alkyl Acetals
104-76-7 2-Ethylhexanol X X X/X X X
78-83-1 Isobutyl alcohol X X X/X X X
97-85-8 Isobutyl isobutyrate X X X/X X X
107-92-6 Butyric acid X X X/X X X
Data for these endpoints can be found within the various SIDS documents already drafted or in the process of being
developed for the OECD, ICCA or US EPA HPV programs.
1. Smyth, H.F. (1954). Range-Finding Toxicity Data: List V. AMA Arch. Ind. Hyg. Occup. Med. 10, 61-68.
2. Butyl n-butyrate: Fragrance raw materials monographs. Food Cosmetics Toxicology 17, 521-522 (1979);
RTECS Number: ES8120000
3. Endpoint evaluated through use of surrogates butyric acid and n-butanol
4. Ballantyne, B. (1985). The Acute Toxicity and Primary Irritancy of 2-Ethyl-1,3-Hexanediol. Vet. Hum.
Toxicol. 27(6), 491-495.
5. VanMiller, J.P., et al. (1995). Repeated Exposure Toxicity of 2-Ethyl-1,3-Hexanediol by Cutaneous
Applications to the Rat for 9 and 90 Days. Vet. Hum. Toxicol. 37(1), 33-36.
6. Stenback, F. and Shubik, P. (1974). Lack of Carcinogenicity of Some Commonly Used Cutaneous Agents.
Toxicol. Appl. Pharmacol., 30, 7-13.
7. lesinski, R.S., et al., (1988). In Vitro and In Vivo Evaluation of the Genotoxic Potential of 2-Ethyl-1,3-
S
Hexanediol. Toxicology, 53(2-3), 179-198.
8. eeper-Bradley, T.L., et al. (1994). Evaluation of the Developmental Toxicity Potential of 2-Ethyl-1,3-
N
Hexanediol in the Rat by Cutaneous Application. J. Toxicol. ?Cut. & Ocular Toxicol., 13(3), 203-214.
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