STRUCTURE ACTIVITY TEAM REPORT 

CASE NUMBER: P04-0319

RELATED CASES: 

CONCLUSIONS/DISCUSSIONS 

TYPE OF CONCERN: HEALTH ECOTOX

LEVEL: 1-2 3 

KEYWORDS: LIVER, KIDNEY, ONCO, MUTA, DEVEL, IRR, SENS-S, NEURO, 

PNEUMONIA, AQUATOX-C 

SUMMARY OF ASSESSMENT: 

FATE: MW142 

liquid with mp = -45 C (M) 

log Kow for average C12 = 6.8 (ClogP) 

log Kow for C10 = 5.1 (EPI) 

S = 1.1 mg/L at 20 EC (P) 

vp = 0.48 mm Hg or torr at 25 EC (M) 

bp = 180 to 230 C (M) 

H = 5.3 (P) 

log Koc = 3.1 (P) 

log fish BCF = 3.2 (P) 

test data for aerobic biodegradation for , meanC18, were: 

53% biodegradation in 28 d, thus, not readily biodegradable, via the closed bottle test 

(OECD301D) at 1.7 mg/L, pH 7.3, POLYSEED bacteria, 20 C; 

POTW removal = 99% via sorption, stripping, and biodegradation 

time for complete ultimate aerobic biodegradation = weeks 

sorption to soils and sediments = moderate 

volatilization from rivers = 1 hours and from lakes = 5 days 

atmospheric oxidation half-life = 11 h via OH radical 

PBT Potential: P1B2T2 

*CEB FATE: migration to ground water = moderate 

HEALTH: Absorption moderate all routes based on analogs; 

test data for =C8 to C28, meanC18) were: 

rat acute oral LD0 = 5.0 g/kg with no significant toxic signs; 

no skin irritation in rabbits; 

mild and transient (2 d) eye irritation in rabbits; 

test data for analogs were: 
C 5 rat 28-d R/D via inhalation = liver and kidney effects at 

 8500 ppm 

C 5 rat developmental LOEL = 400 ppm based on reduced mean fetal 

 weight 

C 6 rat developmental LOEL = 400 ppm based on reduced mean fetal 

 weight 

C 6 chromosome aberration with in vivo bone marrow cytogenetic 

 assay in rats was positive; 

C 6 mouse 2-yr onco with liver cancer 

C 6 2-yr onco with tumors in pituitary and liver 

C 7 neurotoxicity via inhalation 

C10 neurotoxicity 

C10 Rat 28-d R/D via oral LOEL = 25 mg/kg/d 

C12 promotor of DMBA 

C12 rat 90-d oral LOEL = 330 mg/kg/d (lowest dose) based on 

 kidney toxicity; liver toxicity at 1 g/kg/d 

C12 rat 13-wk inhalation NOEC = 12.5 ppm, LOEC = 50 ppm based on 

 effects to kidneys 

C12 rat 13-wk inhalation LOEL (lowest dose) = 200 ppm based on 

 kidney toxicity 

C15 human skin sensitization 

C15 rat 28-d dermal test showed progressive skin irritation 

C21 rat 90-d heart and liver toxicity at 0.2% 

concern for liver toxicity, kidney toxicity, developmental toxicity, mutagenicity, oncogenicity, 

neurotoxicity, skin sensitization, hydrocarbon pneumonia, and irritation to membranes based on 

data for analogs; 

low to moderate concern for toxicity; 

*CEB HEALTH: Exposures to humans: inhalation, dermal, ingestion, and drinking water; XB: 

No testing desired. 

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

fish 96-h LC50 = * P 

daphnid 48-h LC50 = * P 

green algal 96-h EC50 = * P 

fish chronic value = 0.001 or * P 

daphnid ChV = 0.003 or * P 

algal ChV = 0.005 or * P 

FLAG: EC>S 

Predictions are based on SARs for neutral organic chemicals with an average of C12; SAR 

chemical class = isoalkanes-C10 to C13 (meanC11.5); MW142 for C10, 170 for C12; log Kow 

of C12 = 6.8 (ClogP); pH7; effective concentrations based on 100% active ingredients and 

nominal concentrations; hardness <150.0 mg/L as CaCO3; and TOC <2.0 mg/L; 

high concern for chronic toxicity; 

assessment factor = 10.0 
concern concentration = 0.001 mg/L (ppm) 

*CEB ECOTOX: All releases to water; XB: Testing desired. 

SAT Co-chair: Vince Nabholz, 564.8909