SAT Report

PMN Number: P-13-0178

SAT Date: 1/4/2013

Print Date: 2/4/2013

Related cases: Yes

Concern levels:

Type of Concern: Health Eco Comments

Level of Concern: 1-2 3

 Persistence Bioaccum Toxicity Comments

1 11

Exposure Based Review:

Health:

Ecotox: No

Routes of exposure: Health: Dermal Inhalation 

Ecotox: All releases to water

Fate: ;

Keywords:

 Keywords: SENS-S; AQUATOX

Summary of Assessment:

 Fate:

Fate Summary: P-13-0178

FATE: 

Liquid with MP = -115 C (M)

log Kow = 4.26 (M); 

S = 16 mg/L at 25 C (M)

VP = 9.6E-2 torr at 25 C (NOMO5)

BP = 224 C (M)

H = 8.29E-4 (E)

log Koc = 2.72 (E)

log Fish BCF = 2.5 (E)
log Fish BAF = 2.1 (E) 

POTW removal (%) = 31 via sorption and possible partial biodeg; CEE C4.e (Closed Btl): 

18.55%/28d.

Time for complete ultimate aerobic biodeg = wk-mo

Sorption to soils/sediments = strong

Volatilization half-life from a standard river = 2.4 hrs

Volatilization half-life from a standard lake = 6.0 da

Atmospheric Oxidation Half-life = 10 hr via OH radical

PBT Potential: P1B1

*CEB FATE: Migration to ground water = negl-slow

 Health:

 Health Summary: Expect moderate absorption via all routes (pchem). 

Concern for dermal sensitization based on submitted test data.

 Test Data: (-) Salmonella with and without activation; (-) E. coli 

with and without activation; rat oral LD0 = 2000 mg/kg; slight skin irritation in rabbits; (+) for 

skin sensitization in a mouse local lymph node assay, EC1.4 = 14.5%

 Ecotox:

Test Organism Test 

Type

Test End 

Point

Predicted Measured Comments

fish 96-h LC50 1.1

daphnid 48-h LC50 1.7 2.0

green algal 96-h EC50 0.50 5.3

fish _ chronic value 0.049

daphnid _ chronic 

value

0.59

algal _ chronic 

value

0.28 3.4

Sewage Sludge 3-h EC50 _

Sewage Sludge _ Chronic 

Value

_

Ecotox Values Comments: Predictions are based on SARs for Esters; SAR class = Esters; 

MW 198; log Kow = 4.4; S = 0.016 g/L at 20 C (M); pH7; liquid with mp = -114.8 C (M); 

effective concentrations based on 100% active ingredients and measured concentrations; 

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

Ecotoxicity Test Data Results for P-13-0178: Cyclopentanol, 2-methyl-5-(1-methylethyl)-, 

1-propanoate (CASRN: 1245725-35-2; Trade name: Mirallyl).

Acute daphnia and algae toxicity studies were completed for PMN P-13-0178 in 2010 by 

Phytosafe s.a.r.l., France for Mane USA. The PMN material is characterized as an ester and is 
described as a colorless to pale yellow liquid in the neat form and as a solution with the PMN 

material in a fragrance blend during processing. The molecular weight is 198.31 g/mol. Based 

on an experimental water solubility of 16.3 mg/L, an experimental Log Kow of 4.26 and a 

predicted Henry’s Law Constant of 8.29 x 10-4 atm-m3/mole this PMN is expected to be 

moderately volatile and only slightly soluble in water. The PMN material is a fragrance 

ingredient for use in non-cosmetic products such as laundry detergents and air fresheners (60 %), 

in fine fragrances (10 %) and in cosmetic products such as shower gels and creams (30 %). 

Studies followed the respective guidelines of OECD 202 (Daphnia sp., Acute Immobilization 

Test) and OECD 201 (Freshwater Alga Growth Inhibition Test) and were GLP compliant; study 

methods concurred with methods specified in the respective guidelines except where specified 

below.

Daphnid Ecotoxicity Test: 

Phytosafe s.a.r.l. conducted a 48-hour immobilization test in water fleas (Daphnia magna) with 

P-13-0178 (99.96 % purity) under static conditions with tightly capped glass tubes. The study 

was reported to follow OECD test guideline 202. Following a preliminary range-finding test, 

four replicates of five D. magna (< 24 hours old) per concentration were exposed to nominal 

concentrations of 0 (dilution water control; M4 mineral medium), 0 (solvent control), or the 

PMN substance in acetone at nominal test concentrations of 0.92, 1.56, 2.64, 4.47 or 7.58 mg/L. 

Analytical monitoring was conducted using GC/FID with external calibration, which resulted in 

initial mean measured concentrations that were 108.5 – 119.1 % and final mean measured 

concentrations that were 80.5 – 101.2 % of the nominal concentrations. Corresponding mean 

measured concentrations were not reported and effect levels were calculated using nominal test 

concentrations. For the definitive test, the initial test concentrations were set at 110 % the 

nominal values. The treatment solutions were prepared in acetone. Over the course the study, 

water temperature was maintained at 20.0 ± 1.0  ̊C, pH ranged from 7.05 – 7.66 and dissolved 

oxygen ranged from 5.9 – 7.5 mg/L. A loading of 500 daphnid/L was calculated, which exceeds 

OPPTS recommendations (40 daphnid/L) and may result in crowding. The percentage 

immobilization at 0.92, 1.56, 2.64, 4.47 and 7.58 mg/L was 0.5 %, 35 %, 65 %, 100 % and 100 

%, respectively. The 48-hour EC50, based on nominal test concentrations, was 2.0 mg/L (95 % 

confidence interval: 1.48 – 2.67 mg/L) and a mean measured 48-hour EC50 between 1.67 and 

2.37 mg/L was approximated. The study was considered to be adequate. 

48-hour EC50 = 2.0 mg/L

Algal Ecotoxicity Test:

Phytosafe s.a.r.l. conducted a 72-hour algal growth inhibition test in green algae (Desmodesmus 

subspicatus) with P-13-0178 (99.96% purity) under static-renewal conditions, with PMN 

substance renewal twice a day. The study was reported to follow OECD test guideline 201. 

Following a preliminary range-finding test, three replicates per concentration of D. subspicatus 

(3.98 x 106 cells/mL) were exposed to nominal concentrations of 0 (dilution water control; 

OECD medium), 0 (solvent control) or the PMN substance in acetone at nominal test 

concentrations of 9.9, 15.9, 25.4, 40.6 or 65.0 mg/L. Analytical monitoring was conducted via 

GC/FID with external calibration; however, mean measured test concentrations were not 

provided. The submitter notes that “due to the high instability of the test item in water, it was 

not possible to maintain the test concentration within 80 – 100 % of the nominal value, even 

though the test concentration was adjusted twice per day.” This indicates a deviation from 
OECD 201. Appendix 4 reports the results of the test concentration analysis at the beginning 

and end of each renewal period that were used by EPA to approximate the corresponding 

geometric mean measured concentrations of 2.03, 3.03, 3.91, 6.39 and 10.85 mg/L The 

treatment solutions were prepared in acetone. The concentrations of the treatment solutions were 

set in such a manner that the treatment concentrations were achieved when delivering 50 μL of 

the treatment solution per test vessel. Test concentrations were adjusted twice per day, after 6, 

24, 32, 48 and 56 hours of testing by adding a new 50 μL of treatment solution per vessel. 

Physical damage may have resulted from renewal of the test solution. EPA does not recommend 

using these testing methods. Algae were illuminated at a light intensity of 4440 – 8880 lux, with 

constant shaking. The test vessels were capped with air-permeable stoppers. Measured 

concentrations of old medium ranged from 1.7 – 16.2% of nominal test concentrations. 

Measured concentrations of new medium ranged from 44.7 – 88.7% of nominal test 

concentrations. Over the course of testing, the temperature was maintained at 21 – 24  ̊C and the 

pH ranged from 7.6 – 8.8. The cell density in the water and solvent control cultures increased by 

a factor of approximately 250 after 72 hours. EPA re-calculated growth rate inhibition and yield 

inhibition using approximate geometric mean measured concentration based on methods detailed 

in OECD 201 (2006) and used linear regression to derive EC50 values. The geometric mean 

measured 72-hour EC50 values for growth rate and yield were 9.3 and 5.3 mg/L, respectively. 

The nominal 72-hour NOEC and LOEC, for both growth rate and yield, were 9.9 and 15.9 mg/L, 

respectively, and the geometric mean measured NOEC and LOEC were 3.03 and 3.91 using 

Dunnett’s test. The geometric mean measured ChV (geometric mean of the NOEC and LOEC) 

was 3.4 mg/L. This study was considered to be adequate.

72-hour ErC50 = 9.3 mg/L

72-hour EbC50 = 5.3 mg/L

72-hour ChV = 3.4 mg/L

The 48-hour daphnid (EC50 = 2.0 mg/L) and 72-hour algal (EbC50 = 5.3 mg/L; ChV = 3.4 

mg/L) toxicity tests were adequate for P-13-0178. For comparative purposes, the 96-hour fish 

LC50 of 1.1 mg/L, the 48-hour daphnid LC50 of 1.7 mg/L, the 96-hour algae EC50 of 0.50 

mg/L, the fish ChV of 0.049 mg/L, the daphnid ChV of 0.59 mg/L and the algae ChV of 0.28 

mg/L were calculated using the Ester’s QSAR in ECOSAR. Available data indicate fish to be 

the most sensitive species for calculating the acute and chronic concentrations of concern (CoC). 

Based on the predicted 96-hour fish LC50 of 1.1 mg/L (1100 ppb), and the application of an 

assessment factor of 5, the acute CoC for P-13-0178 is 220 ppb. The chronic CoC for P-13-0178 

is derived by dividing the predicted fish ChV of 0.049 (49 ppb) by a factor of 10 (uncertainty 

factor) yielding a chronic CoC of 5.

Acute CoC = 220 ppb

Chronic CoC = 5 ppb

Ecotox Study Reviewer: K. Eisenreich

January 7, 2013

Factors Values Comments

Assessment Factor 10

Concentration of Concern 5
(ppb)

SARs Esters

SAR Class Esters

Ecotox Category Esters

Ecotox Factors Comments: 

 SAT Chair: L Keifer 564-8916