Methyl trans-cinnamate

CAT: 0127-OR350234-01Size: 25 gDry Ice: NoHazardous: No

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CAS Number

1754-62-7

MDL Number

MFCD00008458

Purity

95%

Smiles

COC(=O)\C=C\c1ccccc1

Storage Conditions

Store at 2-8°C

Chemical Information

Methyl Cinnamate

Methyl cinnamate is a methyl ester resulting from the formal condensation of methyl cinnamic acid with methanol. It is found naturally in the essential oils of Alpinia and Basil leaf oil, and widely used in the flavor and perfume industries. It has a role as an insect attractant, a volatile oil component, a flavouring agent, a fragrance and an anti-inflammatory agent. It is an alkyl cinnamate and a methyl ester.

CAS Number	1754-62-7
PubChem CID	637520
IUPAC Name	methyl (E)-3-phenylprop-2-enoate
Molecular Formula	C10H10O2
Molecular Weight	162.18
XLogP	2.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

COC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+

InChIKey

CCRCUPLGCSFEDV-BQYQJAHWSA-N

Chemical Structure

2D Structure

CAS: 1754-62-7

CID: 637520

Formula: C10H10O2

MW: 162.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	162.18
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	162.068079557
Monoisotopic Mass	162.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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PC8274-01	Methyl 2-chloro-4- (trifluoromethyl) cinnamate
BUP18970	Ethyl cinnamate
OR52524-01	Benzyl cinnamate
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Alternative Products

Catalog	Name
TRC-M328175-1KG	Methyl trans-Cinnamate
M328177	Methyl trans-Cinnamate-d7
AR-C07675-01	Methyl trans-Cinnamate-d5 (phenyl-d5)
TYD-04432-01	Trans-O-Hydroxy-alpha-methyl-cinnamate-CoA
TRC-M294790-5G	Methyl Cinnamate
FC61963-01	Cholesterol trans-Cinnamate
T124966-01	Tropanyl trans-cinnamate
T32971-01	Lupeol trans-cinnamate
MBS3617190-01	Phenethyl trans-cinnamate

Methyl trans-cinnamate

Chemical Information

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