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: No

Ecotox: No

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 (NOMO5) 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

positive 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 0.75
value

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); pH7; 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% purity) 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, pH 

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% purity) under static testing conditions. The 
Following 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 

period 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 μE/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, predictions will be used to characterize fish toxicity. The 

acute CoC of 440 ppb for P-12-0566 was calculated from the daphnid 48-hour EC50 of 2.2 mg/L 

(2,200 ppb) by dividing an assessment factor of 5. The chronic CoC of 3 ppb for P-12-0566 was 

calculated from the fish ChV of 0.025 mg/L (25 ppb) by dividing by an assessment factor of 10.
Acute CoC = 440 ppb

Chronic CoC = 3 ppb

Ecotox Study Reviewer: K. Moran

Factors Values Comments

Assessment Factor 10

Concentration of Concern 

(ppb)

3

SARs allyl alcohols

SAR Class allyl alcohol

Ecotox Category None

Ecotox Factors Comments: 

 SAT Chair: Becky Jones