1-isopropyl-2,2-dimethyltrimethylene diisobutyrate

Acute Toxicity: oral

Administrative data

Endpoint:

acute toxicity: oral

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Single dose followed by a 14-day observation period

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Reliable without restriction; study was conducted according to OPPTS 870.1100 and OECD 425 guidelines and GLPs.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2007

Report date:

2007

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 425 (Acute Oral Toxicity: Up-and-Down Procedure)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EPA OPPTS 870.1100 (Acute Oral Toxicity)

GLP compliance:

yes

Test type:

up-and-down procedure

Limit test:

yes

Test material

Test material information

Constituent 1

Reference substance name:

Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester

IUPAC Name:

Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester

Constituent 2

Reference substance name:

1-isopropyl-2,2-dimethyltrimethylene diisobutyrate

EC Number:

229-934-9

EC Name:

1-isopropyl-2,2-dimethyltrimethylene diisobutyrate

Cas Number:

6846-50-0

Molecular formula:

C16H30O4

IUPAC Name:

trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane

Constituent 3

Reference substance name:

2,2,4-Trimethylpentanediol-1,3-diisobutyrate

IUPAC Name:

2,2,4-Trimethylpentanediol-1,3-diisobutyrate

Constituent 4

Reference substance name:

Texanol isobutyrate; TXIB

IUPAC Name:

Texanol isobutyrate; TXIB

Details on test material:

-Test substance (name as cited in study report): Eastman TXIB
-Source of test material: Eastman Chemical Company
-Purity: >98%
-Production date: 4/26/07
-Date of receipt: 7/26/07
-Stability: 1 year
-Storage: Room temperature and humidity
-Description: Clear liquid
-Specific gravity: 0.92

Test animals

Species:

rat

Strain:

Wistar

Sex:

female

Details on test animals or test system and environmental conditions:

Test animals:
-Strain: Wistar albino rats (Ace Animals, Boyertown, PA)
-Date of receipt: 7/24/07 and 7/31/07
-Sex: Female (non-pregnant and nulliparous)
-Number: 5
-Body weight: 201-237 g
-Age: Approximately 7-8 weeks of age
-Quarantine: at least 5 days
-Identification: tail tatoo

Environmental Conditions:
-Housing: 1 rat per suspended wire cage (bedding placed beneath the cage changed at least 3 times weekly)
-Feed: Fresh PMI Rat Chow (Diet 5012); ad libitum except for 16-20 hours prior to dosing
-Water: available ad libitum
-Light cycle: 12:12 light:dark

In Life Dates:
-Study initiation: 8/08/07
-Study termination: 8/30/07

Administration / exposure

Route of administration:

oral: gavage

Vehicle:

unchanged (no vehicle)

Details on oral exposure:

One female rat was dosed with the undiluted test substance at 2000 mg/kg bw. Since the animal survived, four additional animals were administered the test substance at 2000 mg/kg bw.

Doses:

2000 mg/kg bw

No. of animals per sex per dose:

5 female rats

Control animals:

no

Details on study design:

The test substance was used as received and the dose was based on the sample weight as calculated from the specific gravity. One animal was initially dosed with the test substance at 2000 mg/kg bw. Since the animal survived, another 4 animals were dosed at 2000 mg/kg bw followed by a 14-day observation period. Animals were observed at 0.5, 1, 2 and 4 hours post-dose and once daily thereafter. Body weights were recorded immediately prior to test substance administration, weekly, and at study termination. Gross pathology was performed on all animals.

Statistics:

Statistical analyses were not performed.

Results and discussion

Effect levels

Sex:

female

Dose descriptor:

LD50

Effect level:

> 2 000 mg/kg bw

Mortality:

All animals survived the 14-day observation period.

Clinical signs:

other: Instances of wet anogenital area were observed on Days 0 and 1. All animals appeared normal from Day 2 through study termination.

Gross pathology:

No findings were noted; all animals were normal.

Applicant's summary and conclusion

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

Under conditions used in this study, 2,2,4-trimethyl-1,3-pentanediol diisobutyrate was not toxic by the oral route in rats. The single dose oral LD50 in female rats was calculated to be > 2000 mg/kg bw.

Based on an acute oral LD50 value of > 2000 mg/kg bw in rats and an absence of significant toxic effects in humans or animals exposed to this chemical, 2,2,4-trimethyl-1,3-pentanediol diisobutyrate is not classified for acute lethality by the oral route under GHS. Based on an absence of significant target organ or other systemic effects, the test material is also not classified for Specific Target Organ Toxicity – Single Exposure under GHS.

Executive summary:

In an acute up and down oral toxicity study, five female rats were administered a single dose of 2,2,4-trimethyl-1,3-pentanediol diisobutyrate by oral gavage at 2000 mg/kg bw. The rats were observed for mortality and adverse clinical signs for a period of 14 days. All animals survived the observation period. Clinical observations were limited to wet anogenital area on study Days 0 and 1 in two animals. All animals appeared normal from study Day 2 to study termination and all animals gained weight during the observation period. Based on the present study, the oral LD50 in female rats administered 2,2,4-trimethyl-1,3-pentanediol diisobutyrate is > 2000 mg/kg bw and the test material is considered to present a low toxicity hazard by the oral route.