Isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol

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 14-day observation period

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Study conducted prior to the introduction of Good Laboratory Practices and country-specific testing guidelines. Standardized experimental methods were used to test over 300 compounds. Published results presented as a collection of data; methodology also published.

Data source

Reference

Reference Type:

publication

Title:

Range-Finding Toxicity Data: List VIII

Author:

Carpenter CP, Weil CS and Smyth, Jr HF

Year:

1974

Bibliographic source:

Toxicology and Applied Pharmacology 28, 313-319 (1974)

Materials and methods

Test guideline

Qualifier:

no guideline followed

Principles of method if other than guideline:

The acute oral toxicity of Texanol Ester-Alcohol was estimated by administration of the undiluted test material by oral gavage to groups of five non-fasted male rats. The doses were arranged in a logarithmic series differing by a factor of two. Following dose administration, animals were monitored for two weeks. Only the LD50 was reported.

Test method was published in:
Smyth et al., 1962. Range-finding toxicity data: List VI. American Industrial Hygiene Association Journal 23: 95-107.

GLP compliance:

no

Test type:

standard acute method

Limit test:

no

Test material

Test material information

Constituent 1

Reference substance name:

Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol

IUPAC Name:

Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol

Constituent 2

Reference substance name:

Isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol

EC Number:

246-771-9

EC Name:

Isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol

Cas Number:

25265-77-4

Molecular formula:

C12H24O3

IUPAC Name:

3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate

Constituent 3

Reference substance name:

(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate

IUPAC Name:

(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate

Constituent 4

Reference substance name:

Texanol Ester-Alcohol; TEXANOL; 2,2,4-trimethyl-1,3-pentanediol monoisobutyrate

IUPAC Name:

Texanol Ester-Alcohol; TEXANOL; 2,2,4-trimethyl-1,3-pentanediol monoisobutyrate

Details on test material:

-Name of test material (as cited in study report): Isobutyric acid, 2,2,4-trimethyl-1,3-pentanediol monoester, mixed isomers

Test animals

Species:

rat

Strain:

other: Carworth-Wistar

Sex:

male

Details on test animals or test system and environmental conditions:

-Source: internal colony at test facility (Mellon Institute of Industiral Research, Pittsburgh, PA)
-Age at study initiation: 4 to 5 weeks
-Weight at study initiation: 90 to 120 grams
-Diet: Rockland complete rat diet

Administration / exposure

Route of administration:

oral: gavage

Vehicle:

unchanged (no vehicle)

Details on oral exposure:

Each animal received a single dose of the undiluted test material by oral gavage.

Doses:

Not specifically stated; doses arranged in a logarithmic series differing by a factor of two.

No. of animals per sex per dose:

5 males

Control animals:

not specified

Details on study design:

Groups of five non-fasted male Carworth-Wistar rats, ages 4 to 5 weeks, were administered a single dose of undiluted test material by oral gavage and observed for a 14-day period for mortality.

Statistics:

The most probable LD50 value and its fiducial range were estimated by the method of Thompson using the Tables of Weil. The figures in parentheses show limits of ±1.96 standard deviations.

Results and discussion

Effect levels

Sex:

male

Dose descriptor:

LD50

Effect level:

6.86 mL/kg bw

Any other information on results incl. tables

The single-dose oral LD₅₀ for rats was expressed as 6.86 (4.64-10.1) mL/kg bw. The figures in parentheses show limits of ± 1.96 standard deviations. Based on a specific gravity of 0.95 for the test material, the LD₅₀ was equivalent to approximately 6500 mg/kg bw.  

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, Texanol Ester-Alcohol was not acutely toxic by the oral route in male rats. The single dose oral LD50 in male rats was 6.86 mL/kg bw (approximately 6500 mg/kg bw).

Based on an acute oral LD50 value of 6.86 mL/kg bw (appproximately 6500 mg/kg bw) in male rats, Texanol® Ester-Alcohol is not classified for "Acute Toxicity" by the oral route according to GHS.

Executive summary:

In an acute oral toxicity study, groups of five male rats were administered single doses of Texanol Ester-Alcohol by oral gavage and observed for 14 days. Under the conditions of this study, the oral LD50 of Texanol Ester-Alcohol in male rats is considered to be 6.86 mL/kg bw (approximately 6500 mg/kg bw). Based on the results of this study, Texanol Ester-Alcohol presents a low acute toxicity hazard by the oral route.