cis-3-Hexenyl tiglate

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Catalog Number
ACM67883798
Product Name
cis-3-Hexenyl tiglate
Structure
Structure
CAS
67883-79-8
Category
Heterocyclic Organic Compound
Synonyms
(Z)-3-Hexenyl 2-methylcrotonate
IUPAC Name
[(Z)-Hex-3-enyl] (E)-2-methylbut-2-enoate
Molecular Weight
182.26
Molecular Formula
C11H18O2
Canonical SMILES
CCC=CCCOC(=O)C(=CC)C
InChI
InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+
InChI Key
JNWQKXUWZWKUAY-JQEGGOPCSA-N
Boiling Point
105 °C
Flash Point
204 °F
Density
0.951 g/mL at 25 °C(lit.)
Solubility
Insoluble in water; soluble in fats
Appearance
Pale to faint yellow liquid; fresh green, floral aroma
Assay
0.98
EC Number
267-554-5
Exact Mass
182.130679813
Isomeric SMILES
CC/C=C\CCOC(=O)/C(=C/C)/C
MDL Number
MFCD00036528
Monoisotopic Mass
182.130679813
Odor
Fresh green, floral aroma
Packaging
100 g
Physical State
Liquid
Refractive Index
n20/D 1.46(lit.)
Topological Polar Surface Area
26.3 Ų
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