Ethyl cinnamate

Compound Structure:

Synonyms:

Cinnamic acid, ethyl ester; Ethyl (E)-3-phenylprop-2-enoate; Ethyl 3-phenyl-2-propenoate; Ethyl 3-phenylprop-2-enoate; Ethyl trans-cinnamate; Trans-ethylcinnamate; (E)-Ethylcinnamate; Ethyl trans-3-phenylacrylate; Ethyl (2E)-3-phenylprop-2-enoate; 2-Prope

Compound ID:

NMPC-1030

PubChem ID:

637758

Molecular Formula:

C11H12O2

Canonical SMILES:

CCOC(=O)C=CC1=CC=CC=C1

InChIKey:

KBEBGUQPQBELIU-CMDGGOBGSA-N

About the compound:

Ethyl cinnamate is the ester of cinnamic acid and ethanol. It is present in the essential oil of cinnamon.[citation needed] Pure ethyl cinnamate has a "fruity and balsamic odor, reminiscent of cinnamon with an amber note. The p-methoxy derivative is reported to be a monoamine oxidase inhibitor. It can be synthesized by the esterification reaction involving ethanol and cinnamic acid in the presence of sulfuric acid

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 1623 of 1623 companies. For more detailed information, please visit ECHA C&L website.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	176.21 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	176.083729621 g/mol
Monoisotopic Mass	176.083729621 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179
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
Physical Description	Colourless liquid, sweet balsamic-honey note
Density	1.044-1.051
Solubility	insoluble in water; miscible in alcohols
Vapor Pressure	0.00327 [mmHg]

Source: PubChem

Source Species:

Pycnanthus angolensis

Download SDF