STRUCTURE ACTIVITY TEAM REPORT 04 January 2002 

CASE NUMBER: P02-0161

RELATED CASES: 

CONCLUSIONS/DISCUSSIONS 

 

TYPE OF CONCERN: HEALTH ECOTOX

LEVEL: 3 3 

KEYWORDS: IRR-S,E, CORROS-S,E, MUTA, SENS-S, LIVER, DEVEL, 

NEURO, ONCO, AQUATOX-A,C 

SUMMARY OF ASSESSMENT: 

FATE: 

log Kow for = -10 (SRC); 

S = 1000 g/L at 25 oC (P) 

hydrolysis half-life = weeks to months; 

test data for were 

hydrolysis half-life at pH5 = 131 d 

 half-life at pH7 = 72 d 

 half-life at pH9 = 7 d 

via ); therefore, months (EAB); 

vp < 0.01 mm Hg or torr at 25 oC (P) 

bp > 400 C (P) 

H < 1.0E-8 (P) 

log Koc = 1.0 (P); 

log fish BCF = 0.50 (P); 

POTW removal = 50 to 90% via sorption; 

test data from for ready aerobic biodegradation were: 

0% in 28 d via ThOD (OECD 301F - Respirometry); 

time for complete ultimate aerobic biodegradation = weeks to 

months; 

sorption to soils and sediments = strong; 

PBT Potential: P1B1T2 

*CEB FATE: migration to ground water = slow to negligible; 

HEALTH: Absorption expected all routes based on based on 

test data, analogs, and physical/chemical properties; 

submitted test data appear to be the same data submitted with 

 which is a on the average, however, rabbit 

developmental toxicity test submitted with was not 

submitted with this PMN, were: 

rat acute oral MLD = 500 mg/kg with NOEL = 50 mg/kg 

rat acute dermal LD0 = 2.0 g/kg with moderate irritation 

followed by corrosion at site of application; 

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severe irritation with corrosion in skin irritation in 

rabbits; 

Ames test was positive; 

E. coli test was negative; 

mouse micronucleus test oral was negative; 

mouse lymphoma test was positive; 

moderate skin sensitization in guinea pigs (M&K); 

in vitro eye irritation test showed potential for severe 

irritation; 

rat range-finding test for 28-d subchronic (oral-gavage) LOEL 

= 50 mg/kg/d (lowest dose tested) showed liver degeneration 

rat 28-d subchronic (oral-gavage) LOEL = 5 mg/kg/d (lowest 

dose tested) showed liver degeneration which the submitted 

graded as minimal; liver degeneration at 15 and 40 mg/kg/d; 

degeneration at 40 mg/kg/d was only dose graded as 

significant; 

fabric treated with PMN substance showed no toxic signs; 

test data for analog, , i.e., , were: 

rat acute oral range-finding test = LD100 at 500 mg/kg and 

LD0 at 200 mg/kg (1 rat/dose); 

rat acute oral LD0 = 500 mg/kg with no toxic signs; 

rat acute dermal LD0 = 2.0 g/kg with moderate irritation and 

necrosis at site of application; 

in vitro isolated rabbit eye test showed significant corneal 

swelling at 10 sec and 29.4% corneal swelling at 5 h; 

corrosive to rabbit skin within 1 h; 

Ames test was positive; 

E. coli test was negative; 

mouse micronucleus test (oral) was negative; 

mouse lymphoma cells (L5178YTK+/-) bioassay was positive; 

moderate sensitization in guinea pigs with 30% response to 

30% solution (M&K); 

rat 28-d subchronic (oral-gavage) NOEL = 5 mg/kg/d, LOEL = 15 

mg/kg/d with liver toxicity including changes in blood 

chemistry, weight changes, macroscopic and microscopic 

changes, and degeneration; 

rabbit developmental toxicity fetal NOEL = 10 mg/kg/d, LOEL = 

30 mg/kg/d based on a variety of effects including preimplantation losses; 

concern for liver toxicity, developmental toxicity, 

mutagenicity, skin sensitization, and severe irritation and 

corrosion to skin and eyes based on submitted test data; 

concern for oncogenicity based on the positive mutagenicity 

data; 

concern for neurotoxicity based on the ; 

high concern for toxicity; 

*CEB HEALTH: Exposures to humans: inhalation, dermal, 

potential for splashes to the eyes, drinking water; 

ECOTOX: Test data submitted with in mg/L (ppm) were: 

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fish 96-h LC50 = 3.8 M S,N p100 

daphnid 48-h LC50 = 6.5 M S,N p100 

green algal 96-h EC50 = 0.073 M S,N p100 

algal ChV = 0.018 M S,N p100 

Test data submitted with P020161 with some tests appearing to 

be identical to tests submitted with in mg/L (ppm) 

were: 

fish 96-h LC50 = 3.8 M S,N p? 

fish (RT) 28-d LC50 = 3.35 M S,N p100 

daphnid 48-h LC50 = 6.5 M S,N p? 

green algal 96-h EC50 = 1.7 M S,N p? 

algal 72-h EC50 a = 0.073 M S,N p? 

daphnid 21-d ChV = 0.550 M SR,M p100 

daphnid ACR = 12.0 M 

algal ChV a = 0.018 M S,N p? 

The additional test data submitted were for the hydrolysis 

products with ; 

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

fish 96-h LC50 >= 0.460 P 

daphnid 48-h LC50 >= 6.2 P 

green algal 96-h EC50 >= 0.460 P 

fish chronic value >= 0.050 P 

daphnid ChV >= 0.600 P 

algal ChV >= 0.050 P 

Predictions are based on SARs for alkyl cationic surfactantsquaternary with ; predictions are worst case due to 

less toxic lower-molecular-weight components in PMN 

substance; 

SAR chemical class = surfactant-cationic- ; 

 ; ; 100% active ingredients and nominal 

concentrations; hardness <180.0 mg/L as CaCO3; and TOC <2.0 

mg/L; 

high concern for toxicity; 

assessment factor = 10.0 

CC algae = 0.002 

CC fish = 0.040 

CC daphnids = 0.070 

*CEB ECOTOX: All releases to water; 

 

SAT Co-chairperson: Vince Nabholz, 564-8909 

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