SAT Report

PMN Number: S-11-0004

SAT Date: 11/2/2010

Print Date: 3/7/2013

Related cases:

Concern levels:

Type of Concern: Health Eco Comments

Level of Concern: 1-2 2

 Persistence Bioaccum Toxicity Comments

1 12

Exposure Based Review:

Health: No Exposure based testing (health): equivalent of base set testing completed, 

including a combined 

developmental/reproductive toxicity test

Ecotox: Yes

Routes of exposure: Health: Dermal Inhalation 

Ecotox: All releases to water

Fate: ;

Keywords:

 Keywords: NEURO, LIVER, KIDNEY, IRR-E, AQUATOX-A,C

Summary of Assessment:

 Fate:

Fate Summary: S-11-0004

FATE: 

Liquid with MP < -100 C (M)

log Kow = 1.6 (M) 

S = 58.3 g/L at 25 C (M)

VP = 1.935 torr at 25 C (M)

BP = 187.3 C (M)

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H = 7.00E-6 (E)

log Koc = 1.03 (E)

log Fish BCF = 0.72 (E)

log Fish BAF = 0.46 (E) 

POTW removal (%) = 90 via biodeg; OECD 301C (MITI): 90% (BOD), 97% (DOC)/28d; 

 OECD111(Hydrol):t1/2(pH4,7,9):>/=1yr/5d@25C,149h@60C/238h, 

 9.83-10h@50C/10h.

Time for complete ultimate aerobic biodeg = wk

Sorption to soils/sediments = low

Volatilization half-life from a standard river = 110 hrs

Volatilization half-life from a standard lake = 53 da

Atmospheric Oxidation Half-life = 17 hr via OH radical

PBT Potential: P1B1

*CEB FATE: Migration to ground water = negl

 Health:

 Health Summary: Absorption is moderate all routes based on analogs. 

Expect ester hydrolysis. There is concern for neurotoxicity, effects on the liver and kidneys, and 

eye irritation based on the information included in the MSDS for . Low moderate 

concern. 

 Test Data: negative for chromosome aberrations in CHL cells

negative in an in vitro cell mutation assay using mouse lymphoma L5178Y cells

combined repeated dose and developmental and reproductive toxicity study in rats (25, 150, 

1000 mg/kg) - NOEL = 150 mg/kg, non-specific effects at 1000 mg/kg; no developmental or 

reproductive effects

test data for and its hydrolysis product were:

PMN compound

rat acute oral LD50 = 4.6 g/kg

negative in the Ames assay

Hydrolysis product, 3-methoxy-3-methyl-1-butanol

negative in the Ames assay

rat acute oral LD50 = 4.4 g/kg

acute dermal study in rats - LD50 > 2 g/kg

negative for dermal sensitization in guinea pigs

not a dermal irritant

moderate eye irritant

not a photoirritant or photosensitizer in guinea pigs

negative in human patch test

 rat 28-d subchronic inhalation showed effects to liver and kidney at all dose levels 

(100, 300, 500 ppm)

 rat developmental toxicity test (oral) showed NOEL = 500 mg/kg/d with maternal 

toxicity at 2000 mg/kg/d, developmental toxicity at 1000 mg/kg

 Ecotox:

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Test Organism Test 

Type

Test End 

Point

Predicted Measured Comments

fish 96-h LC50 44 73.8 M, Semi-static 24 hr 

renewal

daphnid 48-h LC50 98 >100 M, Limit Test

green algal 96-h EC50 44 >100 M, Limit Test

fish _ chronic value 4.5

daphnid _ chronic 

value

70

algal _ chronic 

value

9.3

Sewage Sludge 3-h EC50 _

Sewage Sludge _ Chronic 

Value

_

Ecotox Values Comments: Predictions based on SARs for esters; ecotox chemical class: 

ester; MW 160; log Kow = 1.46 (EPI), 1.60 (M); pH7; hardness <150.0 mg/L as CaCO3; ECs 

based on 100% active ingredients and mean measured concentrations; and TOC <2.0 mg/L;

Three acute ecotoxicity studies were conducted with (CAS Name: 1-Butanol, 

3-methoxy-3-methyl-, 1-acetate); in 2007 by Kurume 

Laboratory for Kuraray America Inc with fish, daphnia, and algae. The PMN is a clear colorless 

liquid at room temperature with a purity of 99.4%, measured water solubility of 58 g/L, log Kow 

of 1.6, and a vapor pressure of 258 Pa at 25°C. The PMN was measured by gas chromatography 

using a flame ionization detector. The hydrolysate alcohol was also measured by this method 

and acetic acid by HPLC with detection at 210 nm. In the fish test, hydrolysates did not form at 

concentrations greater than 1% of initial PMN concentrations indicating that the acetate form of 

the PMN was stable over the course of exposures. In the daphnia test, < 4% of the alcohol and < 

1% acetate was formed over the 48-hour exposure period. In the algae test, ~5% of the alcohol 

and ~2.5% of the acetate formed over 72 hours. For the fish test, a 24-hour static-renewal 

exposure regime was employed. The daphnia and algal tests were static. In the fish test, 

measured concentrations versus nominal concentrations ranged from 95.0% to 110%. In the 

daphnia test, measured versus nominal concentrations ranged from 95.1% to 101%. In the algae 

test, measured versus nominal concentrations ranged from 92.9% to 98.7%. Because measured 

concentrations were close to nominals and only minor concentrations of hydrolysates formed, 

EC and LC50 values are reported as nominal concentrations. All studies complied with OCSPP 

and OECD guidelines for: 1) O2, pH, temperature, water hardness values and other water quality 

parameters; 2) species, age, number of organisms per replicate, and biomass loading rates; and, 

3) replicate and overall variability.

Fasted Medaka (Oryzias latipes) (8 fish/concentration) were exposed to nominal concentrations 

of 0, 35.0, 45.5, 59.2, 76.9, or 100 mg/L under semi-static conditions (24-hour renewal interval) 

for a total of 96 hours. Over the course of the study, water temperature ranged from 23.6 - 

24.0°C; pH ranged from 7.6 – 7.9; O2 levels ranged from 7.4 – 8.4 mg/L; water hardness was 

37.0 mg CaCO3/L, and conductivity was 15.5 ml/m. The 96-hour LC50 for fish was 73.8 mg/L 

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(95% confidence limits not obtained). The LOEC for mortality and abnormal signs was 76.9 

mg/L and the NOEC was 59.2 mg/L. Abnormal signs included swimming at the surface, loss of 

equilibrium, and reduced activity at the LOEC.

In a 48-hour immobilization limit test, fasted Daphnia magna (5 daphnia/replicate x 4 replicates) 

were exposed to nominal concentrations of 0 or 100 mg/L as in the fish test under static 

conditions in a closed system for a total of 48 hours. Over the course of the study, water 

temperature ranged from 20.1 – 20.3°C; pH ranged from 7.6 – 7.8; O2 levels ranged from 8.3 –

8.4 mg/L; water hardness was 37.0 mg CaCO3/L, and conductivity was 15.5 mS/m. The 48-hour 

EC50 for daphnia was > 100 mg/L. The LOEC for immobility, mortality, and abnormal signs 

was >100 mg/L and the NOEC for mortality was 100 mg/L.

In a 72-hour limit test for algal growth inhibition, an initial cell concentration of 1E+4 cells/ml 

of Pseudokirchneriella subcapitata was incubated with the PMN at a nominal concentration of 0 

or 100 mg/L under static conditions for a total of 72 hours under continuous fluorescent light 

with a wavelength ranging from 400 to 700 nm and an intensity ranging from 93 to 96 μE/m2-s, 

with constant swirling at 22.2 to 22.8°C. The pH ranged from 7.7 to 8.0. Cell growth was 

measured microscopically and using a particle counter with microscopic counting confirmation. 

For inhibition of growth rate, the 72-hour ErC50 was > 100 mg/L, the LOEC was > 100 mg/L 

and the NOEC was 100 mg/L.

All three acute ecotoxicity studies are considered valid. The most sensitive species is fish with a 

96-hour LC50 of 73.8 mg/L. A concern concentration (CC) may be derived from this value by 

first dividing the LC50 value by a fish acute to chronic ratio of 10 yielding a simulated chronic 

value (ChV) of 7.38 mg/L. This ChV is then divided again by an assessment (uncertainty) factor 

of 10 to yield a CC of 0.730, or 730 μg/L (ppb). 

For comparative purposes, the ECOSAR-based predicted COC for this PMN was 450 ppb.

Ecotox Study Reviewer: S. Cragg

10 November 2010

Factors Values Comments

Assessment Factor 10

Concentration of Concern 

(ppb)

730 ECOSAR-based CC was 450 ppb for

fish

SARs esters

SAR Class ester

Ecotox Category 

Ecotox Factors Comments: 

 SAT Chair: Becky Jones

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