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cis-3-Hexenyl isovalerate

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  • Name cis-3-Hexenyl isovalerate
  • EINECS252-404-3
  • CAS No. 35154-45-1
  • Density0.888 g/cm3
  • PSA26.30000
  • LogP2.93200
  • SolubilityN/A
  • Melting Point13.63°C (estimate)
  • FormulaC11H20O2
  • Boiling Point231.76 °C at 760 mmHg
  • Molecular Weight184.27
  • Flash Point79.541 °C
  • Transport InformationUN 3272 3/PG 3
  • Appearancecolorless liquid
  • Safety26-36/37/39
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 35154-45-1 (FEMA 3498)
  • Hazard SymbolsN
  • SynonymsN

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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