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STRUCTURE ACTIVITY TEAM REPORT 

CASE NUMBER: P04-0132

RELATED CASES: 

CONCLUSIONS/DISCUSSIONS 

TYPE OF CONCERN: HEALTH ECOTOX 

LEVEL OF CONCERN: 2 3 

KEYWORDS: 

LIVER 

UNCERT-THYROID 

IRR-S 

UNCERT-REPRO/ONCO 

AQUATOX-A,C 

SUMMARY OF ASSESSMENT 

FATE: Liquid 

LogKow = 5.16(M); S (mg/L, 25EC) = 14.8(M); H = 1.26E-5(E) 

MP (C) < -20(M); BP (C) = 266(NOMO5) based on 133EC @ 10mm(M) 

VP @ 25C (mm) = 0.12(M) 

LogKoc = 3.84/2.22(M/E); LogBCF = 2.13/3.27(M/E); 

POTW removal (%) = 80 via sorption & possible part biodeg; OECD 

301C(MITI): 0%/28d: NRB; Fish BCF (carp): 127 

& 134 @ 4 & 35 ppb. 

Time for complete ultimate aerobic biodeg = mo 

PBT Potential: P2B1T2 

Sorption to soils/sediments = low - moderate 

*CEB FATE: Migration to ground water = moderate - rapid 

Volatilization Halflife Rivers = 5 da; Lake (da) = 38 

Atmospheric Oxidation (halflife, hrs) OH = 11 

HEALTH: Absorption is moderate all routes based on analogs. 

There is concern for liver effects and possibly effects on the 

thyroid based on the submitted 28-day oral study. The PMN 

compound is a strong skin irritant. There is uncertain concern 

for reproductive effects; and uncertain concern for oncogenicity 

by analogy to which are both positive for cancer; are not good 

analogs because they are, relative to , too metabolically 

reactive. 

*CEB HEALTH: Moderate concern (Inhalation and dermal). 

TOXICITY DATA: negative in Salmonella and E coli 

negative for chromosome aberrations in CHL cells 

acute oral study in rats - no deaths or signs of toxicity at 2000 

mg/kg 

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acute dermal study in rats - no deaths or signs of toxicity at 

2000 mg/kg 

28-day oral study in rats (20, 100, 500 mg/kg) - increased liver 

weights and hypertrophy of the centrilobular hepatocytes, slight 

hypertrophy of the follicular cells of the thyroid at 500 mg/kg; 

NOAEL = 100 mg/kg 

minimal eye irritant 

strong dermal irritant 

not a dermal sensitizer, 

test data for the analog, , were: 

rat acute oral LD50 = 1.4 g/kg with tremors, effects to liver and 

effects to stomach; 

rat acute inhalation via nose only, 4.78 mg/L (M) of mean 

particle size = 3.21 microns: LC0 = 4.78 mg/L but with toxic 

signs; 

moderate eye irritation in rabbits which took 7 d to clear; 

mild skin irritation in rabbits; 

Ames test was negative; 

E. coli test was negative; 

chromosome aberration test with CHL cells was positive with dose 

responses for structural but not numerical aberrations; 

no skin sensitization in guinea pigs (M&K); 

rat 28-d subchronic (oral-gavage) NOAEL = 200 mg/kg/d, LOAEL = 

1000 mg/kg/d based on effects to the liver and kidneys and 

effects to the testis and sperm; 

ECOTOX: Predicted (P) and measured (M) toxicity values in mg/L 

(ppm) are: 

fish 96-h LC50 = 6.4 P 

fish (M) 96-h LC30 = 3.5 M S,NadjS,M H67 

fish (RT) 96-h LC50 = 2.1 M SR24,M H100 

fish (RT) 96-h LC50 = 3.5 M S,M H100 

daphnid 48-h LC50 = 6.7 P 

daphnid 48-h LC50 = 1.7 M S,M H250 

green algal 96-h EC50 c = 9.3 P 

algal 72-h EC50 c = 0.690 M S,M H15 

algal 72-h EC50 a = 0.690 M S,M H15 

algal 72-h EC50 r = 1.0 M S,M H15 

fish chronic value = 0.550 P SAR 

fish ChV = 0.200 P RT96/ACR10 

daphnid ChV = 0.910 P SAR 

daphnid ChV = 0.200 P D48/ACR10 

algal ChV c = 8.9 P SAR 

algal ChV EC10 c = 0.460 M S,M H15 

algal ChV EC10 a = 0.540 M S,M H15 

algal ChV r = 0.610 M S,M H15 

Predictions are based on SARs for ; SAR chemical class = ; 

MW228; liquid with mp < -20 C (M) and S = 14.8 mg/L at 20 C (M); 

log Kow = 3.5 (ClogP); pH7; effective concentrations based on 

100% active ingredients and mean measured concentrations; 

hardness <180.0 mg/L as CaCO3; and TOC <2.0 mg/L; 

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high concern for toxicity based on test data 

assessment factor = 10.0 

CC fish = 0.020 mg/L (ppm) 

CC daphnids = 0.020 mg/L (ppm) 

CC green algae c = 0.050 mg/L (ppm) 

*CEB ECOTOX: All releases to water; 

 

Becky Jones 564-8919

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