Linalyl isobutyrate

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Catalog Number
ACM78353
Product Name
Linalyl isobutyrate
Structure
Structure
CAS
78-35-3
Category
Heterocyclic Organic Compound
Description
Linalyl Isobutyrate is a flavoring agent that is a liquid, slightly yellow in color with a fruity odor. it is miscible in alcohol, ether, and chloroform, and insoluble in water. it is obtained by chemical synthesis. it is also termed 3,7-dimethyl-2,6-octadien-3-yl isobutrate.
Synonyms
1,5-Dimethyl-1-vinylhex-4-enylisobutyrat
IUPAC Name
3,7-Dimethylocta-1,6-dien-3-yl 2-methylpropanoate
Molecular Weight
224.34
Molecular Formula
C14H24O2
Canonical SMILES
CC(C)C(=O)OC(C)(CCC=C(C)C)C=C
InChI
InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3
InChI Key
JZIARAQCPRDGAC-UHFFFAOYSA-N
Boiling Point
305.75 °C
Flash Point
73.3°C
Density
1.0013 g/mL at 25 °C(lit.)
Solubility
Insoluble in water; miscible with alcohol and ether
Appearance
Colorless to pale yellow clear liquid (est)
Assay
0.99
EC Number
201-108-2
Exact Mass
224.177630004
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
0
Monoisotopic Mass
224.177630004
Odor
Sweet, fresh, rosy odor
Packaging
25 kg/DRUMS
Physical State
Liquid
Refractive Index
n20/D 1.4576(lit.)
Safety Description
S26-S37/39
Topological Polar Surface Area
26.3 Ų
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