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 E C (E) log Kow = 2.15 (E); S = 198.2 mg/L at 25 E C (E)

VP = 4549 torr at 25 E C (E)

BP = -30 E C (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