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 Name | 2,2,4-Trimethyl-1,3-Pentanediol Monoisobutyrate |
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| CAS Number | 25265-77-4 | Molecular Weight | 216.317 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 249.0±13.0 °C at 760 mmHg |
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| Molecular Formula | C12H24O3 | Melting Point | -50°C |
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| MSDS | / | Flash Point | 85.1±12.6 °C |
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Names
| Name | 2,2,4-Trimethyl-1,3-pentanediolmono(2-methylpropanoate) |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 249.0±13.0 °C at 760 mmHg |
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| Melting Point | -50°C |
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| Molecular Formula | C12H24O3 |
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| Molecular Weight | 216.317 |
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| Flash Point | 85.1±12.6 °C |
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| Exact Mass | 216.172546 |
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| PSA | 46.53000 |
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| LogP | 2.57 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.444 |
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| InChIKey | DAFHKNAQFPVRKR-UHFFFAOYSA-N |
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| SMILES | CC(C)C(=O)OCC(C)(C)C(O)C(C)C |
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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 DATAACUTE 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)
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S24/25 |
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| RTECS | UF6000000 |
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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 |