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Structure

Geranyl phenylacetate

CAS
102-22-7
Catalog Number
ACM102227
Category
Other Products
Molecular Weight
272.4
Molecular Formula
C18H24O2

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Specification

Synonyms
Phenylacetic acid, geranyl ester
IUPAC Name
[(2E)-3,7-Dimethylocta-2,6-dienyl] 2-phenylacetate
Canonical SMILES
CC(=CCCC(=CCOC(=O)CC1=CC=CC=C1)C)C
InChI
InChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+
InChI Key
UXAIJXIHZDZMSK-FOWTUZBSSA-N
Boiling Point
278 °C
Flash Point
>230 °F
Density
0.972 g/mL at 25 °C(lit.)
Solubility
Insoluble in water; soluble in oils
Exact Mass
272.177630004
Isomeric SMILES
CC(=CCC/C(=C/COC(=O)CC1=CC=CC=C1)/C)C
Monoisotopic Mass
272.177630004
Physical State
Liquid
Refractive Index
n20/D 1.509(lit.)
Topological Polar Surface Area
26.3 Ų
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