CAS 25265-77-4|2,2,4-Trimethyl-1,3-Pentanediol Monoisobutyrate

Introduction:Basic information about CAS 25265-77-4|2,2,4-Trimethyl-1,3-Pentanediol Monoisobutyrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name2,2,4-Trimethyl-1,3-Pentanediol Monoisobutyrate
CAS Number25265-77-4Molecular Weight216.317
Density0.9±0.1 g/cm3Boiling Point249.0±13.0 °C at 760 mmHg
Molecular FormulaC12H24O3Melting Point-50°C
MSDS/Flash Point85.1±12.6 °C

Names

Name2,2,4-Trimethyl-1,3-pentanediolmono(2-methylpropanoate)
SynonymMore Synonyms

Chemical & Physical Properties

Density0.9±0.1 g/cm3
Boiling Point249.0±13.0 °C at 760 mmHg
Melting Point-50°C
Molecular FormulaC12H24O3
Molecular Weight216.317
Flash Point85.1±12.6 °C
Exact Mass216.172546
PSA46.53000
LogP2.57
Vapour Pressure0.0±1.1 mmHg at 25°C
Index of Refraction1.444
InChIKeyDAFHKNAQFPVRKR-UHFFFAOYSA-N
SMILESCC(C)C(=O)OCC(C)(C)C(O)C(C)C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UF6000000
CHEMICAL NAME :
Propionic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol
CAS REGISTRY NUMBER :
25265-77-4
LAST UPDATED :
199710
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C12-H24-O3
MOLECULAR WEIGHT :
216.36
WISWESSER LINE NOTATION :
1Y1&YQX1&1&1OVY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: M-158E,1981
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>3500 mg/m3/6H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: M-158E,1981
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
>20 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: M-158E,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83626 No. of Facilities: 4049 (estimated) No. of Industries: 43 No. of Occupations: 29 No. of Employees: 33983 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83626 No. of Facilities: 6324 (estimated) No. of Industries: 75 No. of Occupations: 71 No. of Employees: 81865 (estimated) No. of Female Employees: 11666 (estimated)

Safety Information

Hazard CodesXn
Risk PhrasesR36/37/38
Safety PhrasesS24/25
RTECSUF6000000

Synonyms

1,3-Pentanediol, 2,2,4-trimethyl-, 1-isobutyrate
3-Hydroxy-2,2,4-trimethylpentyl Isobutyrate
EINECS 246-771-9
isobutyraldehydetishchenkotrimer
1-isobutyrate
texanol
Isobutyric Acid 3-Hydroxy-2,2,4-trimethylpentyl Ester
2,2,4-Trimethyl-1,3-pentanediol 1-monoisobutyrate
Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester
MFCD00148967
chissocizercs12
Alcohol ester-12
Texanol ester alcohol
2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE
3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate
UNII:9LJI14453C
2,2,4-Trimethyl
TRIMETHYL HYDROXYPENTYL ISOBUTYRATE
1,3-PentanediolMonoisobutyrate
cs12
2,2,4-Trimethyl-1,3-Pentanediol Monoisobutyrate
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