Isobutyl hexanoate structure
|
Common Name | Isobutyl hexanoate | ||
|---|---|---|---|---|
| CAS Number | 105-79-3 | Molecular Weight | 172.265 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 195.7±8.0 °C at 760 mmHg | |
| Molecular Formula | C10H20O2 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 76.1±0.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
| Name | isobutyl hexanoate |
|---|---|
| Synonym | More Synonyms |
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 195.7±8.0 °C at 760 mmHg |
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.265 |
| Flash Point | 76.1±0.0 °C |
| Exact Mass | 172.146332 |
| PSA | 26.30000 |
| LogP | 3.71 |
| Vapour Pressure | 0.4±0.4 mmHg at 25°C |
| Index of Refraction | 1.421 |
| InChIKey | UXUPPWPIGVTVQI-UHFFFAOYSA-N |
| SMILES | CCCCCC(=O)OCC(C)C |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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| HS Code | 2915900090 |
|---|---|
| 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% |
|
Mosciano, G.
Perfum. Flavor. 2nd ed., 24 , 51, (1999)
|
|
Name: Agonist activity at TRPA1 (unknown origin) at 1000 uM relative to AITC
Source: ChEMBL
Target: Transient receptor potential cation channel subfamily A member 1
External Id: CHEMBL4620421
|
| Isobutyl hexanoate |
| EINECS 203-332-6 |
| MFCD00048870 |
| 2-methylpropyl hexanoate |
| Hexanoic Acid Isobutyl Ester |
| Hexanoic acid, 2-methylpropyl ester |