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Structure

Geranyl isobutyrate

CAS
2345-26-8
Catalog Number
ACM2345268
Category
Other Products
Molecular Weight
224.34
Molecular Formula
C14H24O2

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Specification

Synonyms
3,7-Dimethyl-2,6-octadienyl isobutyrate
IUPAC Name
[(2E)-3,7-Dimethylocta-2,6-dienyl] 2-methylpropanoate
Canonical SMILES
CC(C)C(=O)OCC=C(C)CCC=C(C)C
InChI
InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
InChI Key
OGJYXQFXLSCKTP-UKTHLTGXSA-N
Boiling Point
305.75 °C
Flash Point
96.1°C
Density
0.8997 g/mL at 25 °C(lit.)
Solubility
Soluble in most organic solvents; insoluble in water
Assay
0.99
Exact Mass
224.177630004
Isomeric SMILES
CC(C)C(=O)OC/C=C(\C)/CCC=C(C)C
Monoisotopic Mass
224.177630004
Packaging
1 ton
Physical State
Oily liquid
Refractive Index
n20/D 1.4576(lit.)
Topological Polar Surface Area
26.3 Ų
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