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| Name |
cis-3-Hexenyl isovalerate |
EINECS | 252-404-3 |
| CAS No. | 35154-45-1 | Density | 0.888 g/cm3 |
| PSA | 26.30000 | LogP | 2.93200 |
| Solubility | N/A | Melting Point |
13.63°C (estimate) |
| Formula | C11H20O2 | Boiling Point | 231.76 °C at 760 mmHg |
| Molecular Weight | 184.27 | Flash Point | 79.541 °C |
| Transport Information | UN 3272 3/PG 3 | Appearance | colorless liquid |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N |
| Synonyms |
Butanoicacid, 3-methyl-, (3Z)-3-hexenyl ester (9CI);Butanoic acid, 3-methyl-,3-hexenyl ester, (Z)-;(Z)-3-Hexen-1-yl isovalerate;(Z)-3-Hexenyl isovalerate;AI 3-35966;cis-3-Hexenyl-3-methylbutyrate;cis-Hex-3-enyl3-methylbutanoate; |
cis-3-Hexenyl isovalerate Chemical Properties
Molecular Formula: C11H20O2
Molar mass: 184.2753 g/mol
EINECS: 252-404-3
Density: 0.887 g/cm3
Flash Point: 79.5 °C
Index of Refraction: 1.44
Boiling Point: 231.8 °C at 760 mmHg
Vapour Pressure: 0.0613 mmHg at 25°C
Stable: Stable, but may be light sensitive. Incompatible with strong oxidizing agents, acids, bases
Product categories of cis-3-Hexenyl isovalerate (CAS NO.35154-45-1): Alphabetical Listings;Flavors and Fragrances
Structure of cis-3-Hexenyl isovalerate (CAS NO.35154-45-1):
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 2
IUPAC Name: [(Z)-hex-3-enyl] 3-methylbutanoate
Canonical SMILES: CCC=CCCOC(=O)CC(C)C
Isomeric SMILES: CC/C=C\CCOC(=O)CC(C)C
InChI: InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
InChIKey: AIQLNKITFBJPFO-WAYWQWQTSA-N
cis-3-Hexenyl isovalerate Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MLD | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-A053-884 . |
cis-3-Hexenyl isovalerate Consensus Reports
cis-3-Hexenyl isovalerate (CAS NO.35154-45-1) has been reported in EPA TSCA Inventory.
cis-3-Hexenyl isovalerate Safety Profile
A skin irritant. When heated to decomposition it emits acrid smoke and fumes.
Risk Statements:
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
cis-3-Hexenyl isovalerate Specification
cis-3-Hexenyl isovalerate ,its cas register number is 35154-45-1. It also can be called cis-3-Hexenyl isopentanoate ; (Z)-3-Hexen-1-yl isovalerate ; 3-Hexenyl 3-methylbutanoate ; 3-Hexenyl isopentanoate ; Hex-3-enyl isovalerate ; (Z)-3-Hexenyl 3-methylbutyrate and 3-Hexenyl isovalerate .
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