### SAT Report PMN Number: P-12-0566 SAT Date: 10/2/2012 Print Date: 12/6/2012

Related cases : Health related cases : Ecotox related cases:

Concern levels :
Type of Concern: Health Eco Comments Level of Concern: 1-2 3

Persistence Bioaccum Toxicity Comments 1 12

Exposure Based Review : Health: N o Ecotox: N o

Routes of exposure : Health: Dermal Drinking Water Inhalation Ecotox: All releases to water Fate: ;
Keywords : Keywords: SENS-DERMAL, IRR-E,MM, SPLEEN, BLOOD, UNCERT-DEVEL, AQUATOX-A,C

Summary of Assessment :

Fate : Fate Summary: P-12-0566 FATE: Liquid with MP = 23 C (M) log Kow = 2.39 (M) S = 581 mg/L at 25 C (M) VP = 4.1E-4 torr at 25 C (M) BP = 278 C ( N OMO5) based on 275 C @ 720 mm Hg (M) H = 1.51E-7 (E) log Koc = 2.26 (E) log Fish BCF = 0.99 (E)log Fish BAF = 1.38 (E) POTW removal (%) = 90 via biodeg; OECD 301D(Closed Btl): 42.3% (avg.)/28d NRB; OECD 301F(Mano Resp): 65.3% (avg.)/28d NRB. Time for complete ultimate aerobic biodeg = wk Sorption to soils/sediments = low PBT Potential: P1B1 *CEB FATE: Migration to ground water = negl – slow due to biodeg

Health : Health Summary: Absorption is moderate and good through the lungs and GI tract based on analogs. The alcohol will oxidize to the corresponding acid via an aldehyde intermediate. There is concern for dermal sensitization based on the submitted test data and concern for irritation to eyes and mucous membranes based on the submitted eye irritation study and effects seen on the stomach in the 28-day oral study. There is also concern for effects on the spleen and blood for the aldehyde oxidation product and uncertain concern for the branched acid that is the ultimate oxidation product. Low moderate concern. Test Data: negative in Salmonella and E coli with and without activation negative for clastogenic effects in human peripheral lymphocytes
p ositive for dermal sensitization in the mouse local lymph node assay at concentrations of 10% and greater acute oral study in rats - LD50 is between 300 and 2000 mg/kg; 2 of 3 animals died at 2000 mg/kg; hunched posture and piloerection at 300 mg/kg acute dermal study in rats - no deaths at 2000 mg/kg, some signs of irritation at site of application eye irritant in rabbits, all signs of irritation cleared by day 7 slight skin irritant in rabbits 28-day oral study in rats (30, 150, 600 mg/kg) - the study author concluded the NOAEL was 600 mg/kg because the effects were not considered to be relevant to humans; however, the NOEL is 30 mg/kg based on irritation to the stomach at 150 and 600 mg/kg, increased severity of hematopoiesis in the spleen in males at 600 mg/kg, and hyaline droplet formation in the kidneys of males at 600 mg/kg; SAT agrees that the hyaline droplet formation is not relevant to humans but the other effects may be considered to indicate a potential for adverse effects for humans

Ecotox :

Test Organism Test Type Test End Point Predicted Measured Comments

fish 96-h LC50 2.3 daphnid 48-h LC50 0.34 2.2 green algal 96-h EC50 6.9 4.1 fish

_ chronic value 0.025 daphnid

_ chronic value 0.010 0.22 ACR10

algal

_ chronic 1.6 0.75value Sewage Sludge 3-h EC50

_ Sewage Sludge

_ Chronic Value _

Ecotox Values Comments: Predictions are based on SARs for allyl alcohols; SAR chemical class = allyl alcohol; MW 162; log Kow = 2.94 (EPI), 2.39 (M); liquid with mp = 23 C (M); S = 580 mg/L at 20 °C (M); p H7; effective concentrations based on 100% active ingredients and mean measured concentrations; hardness <150.0 mg/L as CaCO3; and TOC <2.0 mg/L;

Ecotoxicity Test Data Results for P-12-0566: 2-Propen-1-ol, 2-methyl-3-4(-methylphenyl)-, (2E)- (CASRN: 56138-10-4; Trade name: ST 15 C 10).

Acute fish, acute daphnia, algae, and activated sludge bacteria toxicity studies were conducted on the PMN P-12-0566; activated sludge bacteria toxicity test showed low toxicity (EC50 = 140 mg/L) and was not considered in this hazard assessment. The studies were completed in 2011 by The PMN is classified as an allyl alcohol that is moderately soluble in water with a water solubility value of 581 mg/L (experimental) and a Log P of 2.4 (experimental). Based on a Henry’s Law Constant of 1.5 x 10-7 atm-m3/mole, the substance may volatilize.

(1) A 48-hour limit test was conducted according to OECD TG 202 (Daphnia sp., Acute Immobilization Test) in water fleas (Daphnia magna) with P-12-0566 (97.9% p urity) under static testing conditions. Following a combined limit/range-finding study, four replicates of 5 daphnia (<24 hours old) were exposed to a control (test medium) or the PMN substance at nominal concentrations of 1.0, 1.8, 3.2, 5.6 or 10 mg/L (inadvertently, only two replicates of 5 daphnia each were exposed to the 1.0 mg/L group). Corresponding geometric mean measured concentrations of 0.90, 1.5, 2.9, 5.0 and 9.3 mg/L were determined using chromatography and external calibration. The test substance was heated up to 50oC to produce a clear colorless liquid before weighing and mixing into a stock solution (10 mg/L). Magnetic stirring and ultra-sonic treatment for a period of approximately 45 minutes were applied to accelerate the dissolving of the test substance in the test medium. Lower test concentrations were prepared by subsequent dilutions in test medium. The final test solutions were all clear and colorless. Test vessels were closed and airtight. Over the course of the study, temperature ranged from 18.9

– 20.1°C, p H ranged from 8.0

– 8.2 and dissolved oxygen ranged from 7.8

– 9.1 mg/L. Dilution water hardness was 180 mg CaCO3/L. A loading of 100 daphnids/L was calculated, which is high and may result in crowding. Measured concentrations decreased between 9 and 25% during the 48-hour test period. The PMN substance induced significant acute immobilization of Daphnia magna at 1.5 mg/L and higher after 48 hours of exposure. Percent immobilization at 48 hours was 25%, 60%, 100% and 100% at 1.5, 2.0, 5.0 and 9.3 mg/L, respectively. The 48-hour EC50, based on mean measured concentrations, was 2.2 mg/L. The study was acceptable. 48-hour EC50 = 2.2 mg/L

(2) A 72-hour algal toxicity study was conducted according to OECD 201 (Freshwater Alga Growth Inhibition Test) with P-12-0566 (97.9% p urity) under static testing conditions. TheFollowing a combined limit/range-finding test, Pseudokirchneriella subcapitata, at an initial cell density of 104 cells/mL, were exposed to an untreated control (six replicates) or the PMN substance at nominal test concentrations of 0.32, 1.0, 3.2, 10 or 32 mg/L (three replicates each). One extra replicate of each test group was tested concurrently for sampling after 24 hours in addition to two replicates of the highest test concentration without algae. Analysis showed that measured concentrations were in agreement with nominal at the start of the test and after 24 hours of exposure. At the end of the 72-hour test period measured concentrations had decreased significantly with the highest decrease observed in the lowest concentrations. As in the test concentration of 32 mg/L incubated without algae no decrease was observed, it was likely that the decrease was due to adsorption of the test substance to the increasing algal biomass. Based on these results, the Time Weighted Average (TWA) exposure concentrations were calculated. The range tested based on TWA concentrations corresponded to 0.13, 0.40, 1.4, 6.5 and 28 mg/L. Measured concentrations were determined using chromatography and external calibration. Preparation of test solutions started with the highest test concentration of 32 mg/L. The test substance was heated up to 50oC before weighing which resulted in a clear colorless liquid that was easier to handle and weigh. Magnetic stirring and ultra-sonic treatment for a
p eriod of approximately 30

– 40 minutes were applied to accelerate the dissolving of the test substance in the test medium. The lower test concentrations were prepared by subsequent dilutions in test medium. The final test solutions were all clear and colorless. After preparation, volumes of 50 mL were added to each replicate of the respective test concentration. Subsequently, 1 mL of an algal suspension was added to each replicate providing a cell density of 104 cells/mL. Vessels were capped and algal cultures were continuously illuminated at a light intensity of 68 to 75 μ E/m2/s with constant shaking. Over the course of the study, water temperature ranged from 21.8

– 22.9 °C and pH ranged from 8.0

– 8.3. The cell density in the control cultures increased by a factor of at least 148.39 within three days. The 72-hour EC50 value for growth rate reduction and yield inhibition, based on TWA concentrations, was 12 and 4.1 mg/L, respectively. The 72-hour NOEC and LOEC for both growth rate reduction and yield inhibition corresponded to TWA concentrations of 0.40 and 1.4 mg/L, respectively, which resulted in a ChV (geometric mean of the NOEC and LOEC) of 0.75 mg/L. 72-hour EC50 (growth rate reduction) = 12 mg/L 72-hour EC50 (yield inhibition) = 4.1 mg/L 72- hour NOEC = 0.40 mg/L 72-hour LOEC = 1.4 mg/L 72-hour ChV = 0.75 mg/L

The acute daphnid toxicity study (48-hour EC50 = 2.2 mg/L) and the algae toxicity study (72-hour EC50 = 4.1 mg/L and ChV = 0.75 mg/L) submitted with the PMN were considered acceptable. The daphnid ChV was predicted to be 0.22 mg/L from the acute study using an acute-to-chronic ratio of 10. QSAR predictions using vinyl/allyl alcohols indicated a fish 96-hour LC50 of 2.3 mg/L, a daphnid 48-hour EC50 of 0.34 mg/L, an 96-hour algae EC50 of 6.9 mg/L, a fish ChV of 0.025 mg/L, a daphnid ChV of 0.01 mg/L, and an algae ChV of 1.6 mg/L. Since no fish studies were submitted, p redictions will be used to characterize fish toxicity. The acute CoC of 440 p pb for P-12-0566 was calculated from the daphnid 48-hour EC50 of 2.2 mg/L (2,200 p pb) by dividing an assessment factor of 5. The chronic CoC of 3 p pb for P-12-0566 was calculated from the fish ChV of 0.025 mg/L (25 p pb) by dividing by an assessment factor of 10.Acute CoC = 440 p pb Chronic CoC = 3 p pb

Ecotox Study Reviewer: K. Moran

Factors Values Comments Assessment Factor 10 Concentration of Concern ( p pb) 3

SARs allyl alcohols SAR Class allyl alcohol Ecotox Category N one

Ecotox Factors Comments:

SAT Chair: Becky Jones