STRUCTURE ACTIVITY TEAM REPORT 03/02/04 

CASE NUMBER: P04-0346/0347

RELATED CASES 

CONCLUSIONS/DISCUSSIONS 

TYPE OF CONCERN: HEALTH ECOTOX 

LEVEL OF CONCERN 1-2 3 

 1 1 

KEYWORDS: IRR-MM,L DEVEL 

 MUTA 

 AQUATOX 

SUMMARY OF ASSESSMENT 

FATE: with 100% <1000 and 100% <500 

solid with mp 60 to 130 C (M), however, (n=2 with n=1 included) 

was reported to have a mp = 48 C (DSC) in the PMN 

log Kow = 6.8 for (n=1) (EPI) 

log Kow = 12 for (n=2) (EPI) 

S at n=1 with = 0.020 to 0.030 mg/L at 25 C (P) 

S at n=2 with < 0.001 mg/L at 25 C or negligible 

VP at 25C (mm) < 1.0E-6(E) 

H < 1.0E-8(E) 

log Koc = 7.9 and 13 for (EPI) 

log fish BCF for (n=1) = 4.6 (EPI) 

log fish BCF for (n=2) = 0.500 (EPI) 

log fish (carp-whole fish) 60-d BCF at (n=1&2) = 1.8 at SS and 

0.019 mg/L (FT,M) 

log fish (carp-whole fish) 60-d BCF at (n=1&2) = 2.0 at SS and 

0.001875 mg/L (FT,M) 

ready biodegradation test data for n=1&2 with were: 

0% in 28 d via BOD and 

0% in 28 d via HPLC, thus, not readily biodegradable at 100 

mg/L, 30 mg ss/L DWT, 25 C with MITI(I) test (OECD301C) 

POTW removal (%) = 90 via sorption;. 

Time for complete ultimate aerobic biodegradation >= months 

PBT Potential: =P2B3T2 

 =P2B1T1 

 =P2B1T1 

Sorption to soils/sediments = v.strong 

*CEB FATE: Migration to ground water = negligible 
HEALTH: Absorption of low molecular weight fraction is 

expected to be poor all routes (pchem) 

absorption of nil all routes based on physical/chemical 

properties; 

Concern for irritation to mucous membranes, lung, and GI tract 

based on submitted test data; 

concern for mutagenicity based on submitted test data; 

concern for developmental toxicity based on ; 

 *CEB HEALTH: =Low moderate concern (Dermal, inhalation, 

ingestion) 

 *CEB HEALTH: =low concern (No exposures needed for human 

health risk assessment) 

 Test data for mixture (n=1 and n=2) with : 

(-) Salmonella with and without activation; (+) for chromosome 

aberrations in CHL cells with and without activation; (-) E. 

coli with and without activation; rat 28-day oral NOEL = 200 

mg/kg, GI tract irritation at 1000 mg/kg 

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

(ppm) for are: 

fish 96-h LC50 = * P 

daphnid 48-h LC50 = * P 

green algal 96-h EC50 = * P 

fish 30-d ChV = 0.008 P 

fish 90-d ChV = 0.003 P 

daphnid ChV = 0.006 P 

algal ChV = 0.020 or * P 

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

log Kow = 6.8 (EPI); solid with mp = 48 C (M) and S = 0.020 to 

0.030 mg/L at 25 C (P); pH7; effective concentrations based on 

100% active ingredients and mean measured concentrations; 

hardness <150.0 mg/L as ; 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 with CC = 1 ppb 

Predicted (P) and measured (M) toxicity values in mg/L (ppm) for 

are: 

fish 96-h LC50 = * P 

fish (KF) 96-h LC50 = 29.0 M SR12h,N FLAG 

daphnid 48-h LC50 = * P 
green algal 96-h EC50 = * P 

fish 30-d ChV = * P 

fish 90-d ChV = * P 

daphnid ChV = * P 

algal ChV = * P 

FLAG: LC50>S=0.020 to 0.030 mg/L at 25 C or less; 

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

greater; ; log Kow => 12 (EPI); solid with mp => 48 C (M) 

and S < 0.001 mg/L at 25 C (P); pH7; effective concentrations 

based on 100% active ingredients and mean measured 

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

low concern for toxicity; 

assessment factor = 10.0 

concern concentration = * 

*CEB ECOTOX: No releases to water 

SAT Co-chair: Leonard Keifer 564-8916