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| Name |
3-Hexenyl isobutyrate |
EINECS | N/A |
| CAS No. | 57859-47-9 | Density | 0.891g/cm3 |
| PSA | 26.30000 | LogP | 2.54190 |
| Solubility | N/A | Melting Point |
-89.9°C (estimate) |
| Formula | C10H18 O2 | Boiling Point | 211.5°C at 760 mmHg |
| Molecular Weight | 170.28 | Flash Point | 75°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Propanoicacid, 2-methyl-, 3-hexenyl ester (9CI); 3-Hexenyl isobutanoate; 3-Hexenylisobutyrate |
3-Hexenyl isobutyrate Chemical Properties
Product Name: 3-Hexenyl isobutyrate (CAS NO.57859-47-9)
IUPAC: [(Z)-hex-3-enyl] 2-methylpropanoate
Molecular Formula: C10H18O2
Molecular Weight: 170.24872g/mol
Mol File: 57859-47-9.mol
EINECS: 260-993-3
Boiling point: 211.5 °C at 760 mmHg
Flash Point: 75 °C
Density: 0.891 g/cm3
Surface Tension: 27.9 dyne/cm
Enthalpy of Vaporization: 44.78 kJ/mol
Vapour Pressure: 0.182 mmHg at 25°C
XLogP3-AA: 2.9
H-Bond Donor: 0
H-Bond Acceptor: 2
3-Hexenyl isobutyrate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | > 25gm/kg (25000mg/kg) | Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. | |
| rat | LD50 | oral | > 25gm/kg (25000mg/kg) | Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. |
3-Hexenyl isobutyrate Safety Profile
Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
3-Hexenyl isobutyrate Specification
3-Hexenyl isobutyrate ,its CAS NO. is 57859-47-9, the synonyms are 3-02-00-00651 (Beilstein Handbook Reference) ; 3-Hexenyl 2-methypropanoate ; 3-Hexenyl isobutanoate ; BRN 1759547 ; Hex-3-enyl isobutyrate ; Propanoic acid, 2-methyl-, 3-hexenyl ester .
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