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ASTER ECOTOXICITY PROFILE

U.S. Environmental Protection Agency

Office of Research and Development

National Health and Environmental Effects Research Laboratory

Mid-Continent Ecology Division

(formerly the Environmental Research Laboratory-Duluth)

Contact: Scientific Outreach Program

218-529-5225 or FAX 218-529-5003

Internet: ecotox.support@epa.gov

I. CHEMICAL IDENTIFICATION

Name Benzenamine

CAS number 62-53-3

SMILES c1ccccc1N

Formula C6 H7 N

II. ENVIRONMENTAL EXPOSURE ASSESSMENT

Parameter	Value	Source	Reference
Molecular Weight (g/mole)	93.13	Calc.
Melting Point (C)	-6.00	ASTER
Boiling Point (C)	184.	ASTER
Vapor Pressure (mm of Hg)	0.671	ASTER
Ht Vaporization (cal/mole)	1.04E+04	Calc.
Solubility in Water (mg/L)	4.10E+04	Calc.
Log P	0.915	CLogP	3573
pKa	4.58	Calc.
Absorption Coef (log Koc)	1.83	Calc.
Henry's Constant (atm-m**3/mole)	2.01E-06	Calc.
Log10(Henry's Constant)(atm-m**3/mole)	-5.70	Calc.
Hydrolysis Half-life (days) hydrolysis unlikely
BOD Half-life: Calc.	HALF LIFE 2 TO 16 DAYS
Mackay Level 1 Environmental Partitioning @25 C Fugacity = 2.710E-06 Pa
6.56 % into air 0.06 % into soil 93.32 % into water 0.00 % into suspended solids 0.00 % into aquatic biota 0.06 % into sediment

III. ECOTOXICOLOGICAL HAZARD ASSESSMENT

Aquatic Hazard Identification

** Researchers and managers using AQUIRE data for analysis or summary **

** projects should consult with the original scientific paper to ensure **

** an understanding of the content of the data retrieved from AQUIRE. **

ACUTE DATA

Species Common Name	Ex	Duratio	Endpoint	Conc	Source	Ref

Species Latin Name	Ty	(days)	Effect	Type		No.
FRESH WATER
184205:
Water flea	S	2.00	LC50 MOR	59491	QSAR	9003
Daphnia magna				calculated

76393:
Rainbow trout	F	4.00	LC50 MOR	36200*	AQUIRE	10688
Oncorhynchus mykiss

Species Common Name	Ex	Duratio	Endpoint	Conc	Source	Ref
Species Latin Name	Ty	(days)	Effect	Type		No.
FRESH WATER
130176:
Water flea	R	21.00	MATC MOR	A 33.9	AQUIRE	662
Daphnia magna
BIOCONCENTRATION DATA

Species Common Name	Ex	Duratio	Endpoint	Conc	Source	Ref
Species Latin Name	Ty	(days)	Effect	Type		No.
FRESH WATER
184207:
Fathead minnow	F	2.00-	BCF RSD	2	QSAR	7

Pimephales promelas		304			calculated
Species Common Name	Ex	Duratio	Endpoint	Conc	Source	Ref
Species Latin Name	Ty	(days)	Effect	Type		No.
FRESH WATER
20154:
Fathead minnow	F	4.00	LC50 MOR	190	AQUIRE	4343
Ceriodaphnia dubia

Human Health Hazard Identification

There is no information in the QSAR SYSTEM which would suggest

that this chemical is a potential carcinogen or mutagen.

IV. ECOLOGICAL RISK CHARACTERIZATION

A. Environmental Exposure Assessment

Henry's Constant = 2.01E-06 atm-m**3/mole

Log10 (Henry's Constant) = -5.70 atm-m**3/mole

Lyman et al. 1982. would conclude that a chemical with these properties

will volatilize slowly from open water. See page 15-15.

Hydrolysis is not likely to be an important

transformation mechanism for this chemical

B. Ecotoxicological Hazard Assessment

Genetic/Mutagenic Assessment: There is no information in the QSAR SYSTEM which would suggest that this chemical is a potential carcinogen or mutagen.

POLAR NARCOSIS The acute mode of toxic action for these types of compounds is generally attributed to narcosis (the toxicologically induced and reversible stages of neural disruption). The narcosis syndrome elicited by these chemicals is distinct from the syndrome elicited by compounds thought to act via nonpolar narcosis. Polar narcotics are typically more toxic than what would be predicted from the nonpolar narcotic QSAR [3536].

When sufficient data is available from fathead minnow early life stage (ELS) tests (32-d exposures) completed at ERL-Duluth, QSAR models have been developed to predict chronic values for either survival or growth, which ever is the most sensitive endpoint. A chronic value is defined as the geometric mean of the LOEC (lowest observable effect concentration) and the NOEC (no observable effect concentration). These models have been developed for groups of xenobiotics that have been classified based on their acute modes of toxic action. Empirical observations suggest that when a statistically robust ELS QSAR can be established and when 96-h LC50/32-d ELS chronic value ratios are within a factor of 20 it is reasonable to assume that adverse effects are elicited through the same mode of toxic action in both 4-d and 32-d exposures. If during a chronic exposure a different mode of action is involved, or if metabolic activation is significant, the ratios between acute and chronic endpoint values for a group of xenobiotics are generally quite variable and typically exceed two orders of magnitude. In addition, the statistical strength of ELS QSARs in these instances are poor.

Based on toxicity tests using fathead minnows performed at ERL-Duluth, 96-h LC50/32-d ELS Chronic value ratios range from 184 to 382 for aniline derivatives. This suggests that aniline compounds which act as polar narcotics in an acute exposure are acting through a different mode of action during chronic exposures.

C. Other Information

This chemical appears on the SARA (Superfund Amendments and Reauthorization Act) Title III Toxic Emissions Inventory. More information on this chemical is available through the US EPA's Office of Health and Environmental Assessment's IRIS (Integrated Risk Information System) data base.

V. CITATION INFORMATION

REFERENCE NUMBER: 7

Veith,G.D. and P.Kosian

1983

Estimating Bioconcentration Potential from Octanol/Water

Partition Coefficients

In: D.Mackay, et al., (Eds.), Physical Behavior of PCBs in

the Great Lakes, Ann Arbor Sci. Publ., Ann Arbor, MI:269-282

REFERENCE NUMBER: 662

Gersich,F.M. and D.P.Milazzo

1988

Chronic Toxicity of Aniline and 2,4-Dichlorophenol to

Daphnia magna Straus

Bull. Environ. Contam. Toxicol. 40(1):1-7

REFERENCE NUMBER: 3573

Leo,A. and D.Weininger

1988

Daylight Software Version 3.53 for VAX-11 under VMS 4.6+,

CLogP version 3.4

Pomona Medicinal Chemistry Project, Pomona College,

Claremont, CA. Distributed by Daylight Chemical Information

Systems, Inc., 3951 Claremont St., Irvine, CA 92714

REFERENCE NUMBER: 4343

Marchini,S., M.D.Hoglund, S.J.Borderius, and M.L.Tosato

1993

Comparison of the Susceptibility of Daphnids and Fish to

Benzene Derivatives

Sci. Total Environ. (Suppl.):799-808 (Author Communication

Used) (Publ in Part As 3910)

REFERENCE NUMBER: 9003

Russom,C.L.

1991

Personal Communication

U.S. EPA, Environmental Research Laboratory-Duluth, Duluth,

MN 55804

REFERENCE NUMBER: 10688

Hodson,P.V., D.G.Dixon, and K.L.E.Kaiser

1984

Measurement of Median Lethal Dose As a Rapid Indication of

Contaminant Toxicity to Fish

Environ. Toxicol. Chem. 3(2):243-254

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