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Chemical structure of Benzyl cinnamate

GC60637

Benzyl cinnamate

Also known as benzyl 3-phenylprop-2-enoate

Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative

ChemicalCAS103-41-3MW238.28FormulaC16H14O2
CAS number
103-41-3
Molecular weight
238.28
Formula
C16H14O2
Solubility
DMSO ： 47mg/mL
InChIKey
NGHOLYJTSCBCGC-UHFFFAOYSA-N
Catalogue number
GC60637
Brand
GLPBIO
Computed properties PubChem CID 7652 · XLogP 3.8 · TPSA 26.3 Ų · H-bond donors 0
XLogP
3.8
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
18

SMILES C1=CC=C(C=C1)COC(=O)C=CC2=CC=CC=C2

Computed descriptors from PubChem (CID 7652), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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