Introduction：Basic information about CAS 105-79-3|Isobutyl hexanoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isobutyl hexanoate |
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| CAS Number | 105-79-3 | Molecular Weight | 172.265 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 195.7±8.0 °C at 760 mmHg |
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| Molecular Formula | C10H20O2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 76.1±0.0 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | isobutyl hexanoate |
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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 | 195.7±8.0 °C at 760 mmHg |
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| Molecular Formula | C10H20O2 |
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| Molecular Weight | 172.265 |
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| Flash Point | 76.1±0.0 °C |
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| Exact Mass | 172.146332 |
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| PSA | 26.30000 |
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| LogP | 3.71 |
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| Vapour Pressure | 0.4±0.4 mmHg at 25°C |
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| Index of Refraction | 1.421 |
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| InChIKey | UXUPPWPIGVTVQI-UHFFFAOYSA-N |
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| SMILES | CCCCCC(=O)OCC(C)C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MO8389000
- CHEMICAL NAME :
- Hexanoic acid, isobutyl ester
- CAS REGISTRY NUMBER :
- 105-79-3
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H20-O2
- MOLECULAR WEIGHT :
- 172.30
- WISWESSER LINE NOTATION :
- 5VO1Y1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,797,1978
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319 |
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| Precautionary Statements | P305 + P351 + P338 |
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| Hazard Codes | Xi |
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| Risk Phrases | 36/37 |
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| Safety Phrases | 26 |
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| WGK Germany | 2 |
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| RTECS | MO8389000 |
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| HS Code | 2915900090 |
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Customs
| HS Code | 2915900090 |
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| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
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Articles1
More Articles
| Mosciano, G. Perfum. Flavor. 2nd ed., 24 , 51, (1999)
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Synonyms
| Isobutyl hexanoate |
| EINECS 203-332-6 |
| MFCD00048870 |
| 2-methylpropyl hexanoate |
| Hexanoic Acid Isobutyl Ester |
| Hexanoic acid, 2-methylpropyl ester |
