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, MU TA, 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 E C (P) vp = 0.48 mm Hg or torr at 25 E C (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 w ith 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, kidne y toxicity, developmental toxicity, mutagenicity, oncogenicity, neurotoxicity, skin sensitiza tion, hydrocarbon pneumonia, and ir ritation to membranes based on data for analogs;

low to moderate concern for toxicity; *CEB HEALTH: Exposures to humans: inhalati on, 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 w ith an average of C12; SAR chemical class = isoalkanes-C10 to C13 (mean C11.5); MW142 for C10, 170 for C12; log Kow of C12 = 6.8 (ClogP); pH7; effective con centrations based on 100% active ingredients and nominal concentrations; hardness <150.0 mg/L as CaCO 3; and TOC <2.0 mg/L; high concern for chronic toxicity;

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

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

SAT Co-chair: Vince Nabholz, 564.8909