cis-3-Hexenyl isovalerate

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Catalog Number
ACM35154451
Product Name
cis-3-Hexenyl isovalerate
Structure
Structure
CAS
35154-45-1
Category
Heterocyclic Organic Compound
Synonyms
Isovaleric acid cis-3-hexenyl ester
IUPAC Name
[(Z)-Hex-3-enyl] 3-methylbutanoate
Molecular Weight
184.27
Molecular Formula
C11H20O2
Canonical SMILES
CCC=CCCOC(=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-
InChI Key
AIQLNKITFBJPFO-WAYWQWQTSA-N
Boiling Point
98 °C
Melting Point
13.63 °C
Flash Point
140 °F
Density
0.874 g/mL at 25 °C(lit.)
Solubility
Soluble in alcohool, most fixed oils; insolouble in water
Exact Mass
184.146329876
Isomeric SMILES
CC/C=C\CCOC(=O)CC(C)C
Monoisotopic Mass
184.146329876
Odor
Swet, apple-like odor
Physical State
Liquid
Refractive Index
n20/D 1.432(lit.)
Topological Polar Surface Area
26.3 Ų
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