STRUCTURE ACTIVITY TEAM REPORT 08/14/07 

CASE NUMBER: P07-0601

RELATED CASES: 

CONCLUSIONS/DISCUSSIONS 

TYPE OF CONCERN: HEALTH ECOTOX 

LEVEL OF CONCERN: 1-2 1 

KEYWORDS: MUTA ONCO 

SUMMARY OF ASSESSMENT 

FATE: Gas with MP << 25 EC (E) 

log Kow = 2.15 (E); 

S = 198.2 mg/L at 25 EC (E) 

VP = 4549 torr at 25 EC (E) 

BP = -30 EC (M) 

H = 5.75E+2 (E) 

log Koc = 2.19 (E) 

log Fish BCF = 0.95 (E) 

POTW removal (%) = 90-99 via sorption and stripping 

Time for complete ultimate aerobic biodeg = mo 

Sorption to soils/sediments = moderate 

Volatilization half-life from a standard river = 1 hrs 

Volatilization half-life from a standard lake = 4 da 

Atmospheric Oxidation Half-life = 16 hr via OH radical 

Atmospheric Oxidation Half-life = 390 hr via ozone 

PBT Potential: P2B1T2 

*CEB FATE: Migration to ground water = negl 

HEALTH: The PMN substance is a gas, under ordinary conditions 

it will not be absorbed through the skin (pchem), absorbed from 

the lung and GI tract (analog); uncertain epoxidation of or 

Michael addition to the terminal double bond. Concern for 

mutagenicity based on submitted test data; and concern for 

oncogenicity. 

 *CEB HEALTH: Low moderate concern (Inhalation, drinking 

water) 

 Test data: (+) in Salmonella strain TA100 with; (-) in 

Salmonella TA100 without activation; (-) in other strains of 

Salmonella with and without activation; (+) E. coli with 

activation, (-) without activation; (-) inhalation mouse 

micronucleus assay; rat 4-h inhalation LC0 = 405,800 ppm, no 

narcosis; dog cardiac sensitization NOEC = 120,000 ppm (highest 

dose tested); rat 14-day inhalation NOEC = 50,000 ppm (highest 

dose tested); rat 4-week inhalation NOEC = 50,000 ppm (highest 

dose tested), no unscheduled DNA synthesis in male rat liver 

cells, no increase in micronuclei in male rat bone marrow 
[results inconclusive]; rat 14-week inhalation NOEC = 50,000 ppm 

(highest dose tested); rat developmental toxicity NOEL = 50,000 

ppm (highest dose tested) [reported by submitter]; Predicted to 

be noncarcinogenic [by submitter] in female mouse liver and male 

rat kidney in a gene expression assay, gene expression changes 

in male rat kidney suggest potential for endocrine-related 

effects and changes in body mass index, triglyceride levels, 

cholesterol levels, and blood pressure 

 Analog ( ): rat 4-h inhalation LC0 = 101,850 ppm; rat 4-h 

inhalation LC0 = 207,000 ppm; mouse 4-h inhalation LC0 = 103,300 

ppm, no increase in frequency of micronuclei 

 P2 DISCUSSION: SAT has no comment 

 *CCD P2 RECOGNITION: RECOMMENDED 

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

(ppm) are: 

fish 96-h LC50 = 190.0 P 

fish (C) 96-h LC50 > 200.0 M 

daphnid 48-h LC50 = 200.0 P 

daphnid 48-h LC50 > 83.0 M 

green algal 96-h EC50 c = 120.0 P 

algal 72-h EC50 c > 100.0 M 

fish chronic value = 23.0 P 

daphnid ChV = 8.6 P 

algal ChV = 9.7 P 

Predictions are based on SARs for neutral organic chemicals; 

SAR chemical class = ; ; gas; log Kow = 1.6 (ClogP), 

1.6 (ACD); S = 198 mg/L at 20 C (P); pH7; effective 

concentrations based on 100% active ingredients, closed vessel 

with no head space, and mean measured concentrations; hardness 

<150.0 mg/L as CaCO3; and TOC <2.0 mg/L; 

low concern for toxicity; 

assessment factor = 10.0 

concern concentration = 0.900 mg/L (ppm) 

*CEB ECOTOX: No releases to water with CC = 900 ppb 

SAT Co-chair: Leonard Keifer 564-8916