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| CAS No.: | 33467-73-1 |
|---|---|
| Name: | cis-3-Hexenyl formate |
| Article Data: | 1 |
| Molecular Structure: | |
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|
|
| Formula: | C7H12O2 |
| Molecular Weight: | 128.171 |
| Synonyms: | 3-Hexen-1-ol,formate, (3Z)- (9CI);3-Hexen-1-ol, formate, (Z)- (8CI);(Z)-3-Hexen-1-ylformate;(Z)-3-Hexenyl formate; |
| EINECS: | 251-532-7 |
| Density: | 0.906 g/cm3 |
| Melting Point: | -62.68°C (estimate) |
| Boiling Point: | 158.9 °C at 760 mmHg |
| Flash Point: | 50.2 °C |
| Appearance: | colourless to pale yellow liquid with a green, vegetable odour |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-36/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 3272 3/PG 3 |
| PSA: | 26.30000 |
| LogP: | 2.15160 |
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Chemistry
Molecular Formula: C7H12O2
Molar mass: 128.169 g/mol
EINECS: 221-051-7
Density: 0.906 g/cm3
Flash Point: 50.2 °C
Index of Refraction: 1.429
Boiling Point: 158.9 °C at 760 mmHg
Vapour Pressure: 2.57 mmHg at 25°C
Appearance: Colorless to pale yellow liquid, fresh fruit aroma, a pungent smell of grass and vegetables taste
Solubility: Soluble in ethanol, propylene glycol, and the majority of non-volatile oil, not dissolve in water
Product categories of Cis-3-hexenyl formate (33467-73-1): Flavors and Fragrances;Alphabetical Listings
Structure of Cis-3-hexenyl formate (33467-73-1):
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 2
IUPAC Name: [(Z)-hex-3-enyl] formate
Canonical SMILES: CCC=CCCOC=O
Isomeric SMILES: CC/C=C\CCOC=O
InChI: InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
InChIKey: XJHQVZQZUGLZLS-ARJAWSKDSA-N
Uses
In GB 2760-86, Cis-3-hexenyl formate (33467-73-1) has been provided for the use of spices in food.
Production
The production can be formed from the esterification of cis -3 - hexenol with formic acid.
Toxicity Data With Reference
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 797, 1979. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 797, 1979. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazard Codes: Xi.gif){kind=small}
Risk Statements:
10: Flammable
36: Irritating to the eyes
38: Irritating to the skin
Safety Statements:
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
Specification
Cis-3-hexenyl formate (33467-73-1) also can be called Cis-3-Hexen-1-ol formate ; 3-Hexenyl formate, cis- ; 3-Hexenyl methanoate, cis- ; Cis-.beta.-Hexenyl Formate ; Beta,gamma-Hexenyl methanoate ; (Z)-Hex-3-enyl formate .