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STRUCTURE ACTIVITY TEAM REPORT 

CASE NUMBER: P06-0262/0263/0264/0265/0266/0267

RELATED CASES: 

CONCLUSIONS/DISCUSSIONS 

TYPE OF CONCERN: HEALTH ECOTOX 

LEVEL OF CONCERN: 2 3 

KEYWORDS: 

UNCERT-NEURO 

IRR 

LUNG 

MUTA (P06-0263/0266) 

AQUATOX-A,C 

SUMMARY OF ASSESSMENT 

FATE: 

P06-0262/0265 

Estimations for MW 369 

Liquid with MP < 20 EC (E) 

log Kow = 7.35 (E); 

S = 0.011 mg/L at 25 EC (E) 

VP < 1.0E-6 torr at 25 EC (E) 

BP > 400 EC (E) 

H < 1.00E-8 (E) 

log Koc = 6.09 (E) 

log Fish BCF = 2.83 (E) 

POTW removal (%) = 90 via sorption and biodeg 

Time for complete ultimate aerobic biodeg = wk 

Sorption to soils/sediments = v.strong 

PBT Potential: P1B1T2 

*CEB FATE: Migration to ground water = negl 

P06-0263/264/266/267 

FATE: Estimation for typical MW 443 

Solid with MP = 300 EC (E) 

log Kow = 6.66 (E); 

S = Disp/0.003 mg/L at 25 EC (ICB/E) 

VP < 1.0E-6 torr at 25 EC (E) 

BP > 400 EC (E) 

H < 1.00E-8 (E) 

log Koc = 6.11 (E) 

log Fish BCF = 1.85 (E) 

POTW removal (%) = 90 via sorption and biodeg 

Time for complete ultimate aerobic biodeg = wk 

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Sorption to soils/sediments = v.strong 

PBT Potential: P1B1T2 

*CEB FATE: Migration to ground water = negl 

 

HEALTH: For P06-0262 and P06-0265, absorption is poor all routes 

based on analogs. For P06-0263, P06-0264, P06-0266, and P06-

0267, absorption is nil through the skin, poor through the GI 

tract, and moderate through the lungs based on analogs. By 

analogy to a similar compound, , there is concern for GI 

irritation and possible neurotoxicity. In a 28-day oral study in 

rats with this analog, gastric irritation, enhanced startle 

reflex, noisy respiration, increased salivation, hunched posture, 

and tiptoe gait was noted with a NOEL of 15 mg/kg ( ). It is 

not certain whether these effects were indicative of 

neurotoxicity or were a result of the GI irritation. The PMN 

compounds are expected to be irritating to all exposed tissues 

and may have lung effects if inhaled based on their surfactant 

properties. There is concern for mutagenicity for the in P06-

0263 and P06-0266 based on a positive result in the mouse 

lymphoma assay for . 

*CEB HEALTH: Moderate concern (Inhalation and dermal). XB: 

Testing desired. 

ECOTOX: 

P06-0262, P06-0263, P06-0264 

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

predicted ECs based on dilution water TOC < 2 mg TOC/L are: 

fish 96-h LC50 >= 0.200 P 

fish (FHM) 96-h LC50 = 0.910 M H110 TOC? 

MF = 2.0 M H110 TOC? 

daphnid 48-h LC50 >= 0.500 P 

green algal 96-h EC50 >= 0.130 P 

fish chronic value >= 0.020 P SAR 

fish ChV = 0.090 P FHM96/ACR10 

daphnid ChV >= 0.050 P 

algal ChV >= 0.040 P 

fish (SS) 96-h LC50 = 0.660 M TOC? 

mysid 96-h LC50 = 0.520 M TOC? 

fish ChV = 0.070 P SS96/ACR10 

mysid ChV = 0.050 P m96/ACR10 

Predictions are based on SAR-nearest analog analysis for with 

log Kow values for the greater than 7 and between 7.4 and 7.8 

(P); SAR chemical class = ; MW369 (P060262), 441 (P060263), 

and 443 (P060264); MW adjustment for the salts had an 

insignificant effect on the ECs; liquid (P060262), solid (P) for 

P060263 and P060264; log Kow for the linear = 7.4 (ClogP), 7.8 

(EPI); S = dispersible at pH 7 with a soluble salt such as CL; 

pH7 as the CL salt; effective concentrations based on 100% 

active ingredients and mean measured concentrations; hardness 

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

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high concern for toxicity in water with TOC less than 2.0 mg 

TOC/L 

mitigation of toxicity expected in the presence of 10 mg TOC/L = 

less than 20X 

assessment factor = 10.0 

concern concentration = 0.020 mg/L (ppm) with 2X mitigation 

*CEB ECOTOX: all releases to freshwater with CC = 40 ppb; XB: 

Testing desired; 

all releases to nearshore salt/marine water with CC = 10 ppb; 

XB: Testing desired; 

releases to off-shore or deep ocean not needed; 

P06-0265, P06-0266, P06-0267 

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

fish 96-h LC50 >= 1.0 P 

daphnid 48-h LC50 >= 0.130 P 

green algal 96-h EC50 >= 0.700 P 

fish chronic value >= 0.100 P 

daphnid ChV >= 0.020 P 

algal ChV >= 0.200 P 

Predictions are based on SAR-nearest analog analysis for with 

log Kow values for the greater than 7 and about 10 (P); SAR 

chemical class = ; MW451 (P060265), 523 (P060266), and 525 

(P060267); MW adjustment for the salts had an insignificant 

effect on the ECs; liquid (P060265), solid (P) for P060266 and 

P060267; log Kow for the = 10 (ClogP); S = dispersible at pH 

7 with a soluble salt such as CL; pH7 as the CL salt; effective 

concentrations based on 100% active ingredients and mean measured 

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

mg/L; 

high concern for toxicity in water with TOC less than 2.0 mg 

TOC/L 

mitigation of toxicity expected in the presence of 10 mg TOC/L = 

less than 20X 

assessment factor = 10.0 

concern concentration = 0.040 mg/L (ppm) with 20X mitigation 

*CEB ECOTOX: all releases to water with CC = 40 ppb; XB: 

Testing desired. 

 

Becky Jones 564-8919

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