Ethyl cinnamate - CAS 103-36-6

Catalog:	BB001096
Product Name:	Ethyl cinnamate
CAS:	103-36-6
Synonyms:	2-Propenoic acid, 3-phenyl-, ethyl ester; Cinnamic acid, ethyl ester; 3-Phenyl-2-propenoic acid ethyl ester; Ethyl 3-phenyl-2-propenoate; Ethyl 3-phenylacrylate

Technical Data

Related CAS:	4192-77-2 (E-isomer) 403649-38-7 (Deleted CAS) 4610-69-9 (Z-isomer)
IUPAC Name:	ethyl 3-phenylprop-2-enoate
Description:	Ethyl cinnamate (CAS# 103-36-6) is used in the preparation of polymer-encapsulated osmonium used as a catalyst for the dihydroxylation of alkenes and preparation of a camptothecin intermediate, anticancer drug. Also used in the synthesis of substrate specific ERK1/2 inhibitors used to induce apoptosis and inhibit cell proliferation.
Molecular Weight:	176.21
Molecular Formula:	C11H12O2
Canonical SMILES:	CCOC(=O)C=CC1=CC=CC=C1
InChI:	InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:	KBEBGUQPQBELIU-UHFFFAOYSA-N
Boiling Point:	271°C
Melting Point:	7°C
Flash Point:	135°C
Purity:	≥95%
Density:	1.0490 g/cm3
Solubility:	Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate
Appearance:	Colorless liquid
Storage:	Store at 2-8°C
MDL:	MFCD00009189
LogP:	2.26290
Refractive Index:	1.558-1.561
Stability:	Stable. Incompatible with strong oxidizing agents, acids, bases, reducing agents. Combustible.
Vapor Pressure:	0.00327 [mmHg]

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PMID	Publication Date	Title	Journal
22242695	20120203	Phospha-Michael additions to activated internal alkenes: steric and electronic effects	The Journal of organic chemistry
21955679	20111101	Novel natural product-based cinnamates and their thio and thiono analogs as potent inhibitors of cell adhesion molecules on human endothelial cells	European journal of medicinal chemistry
21727038	20110801	Characterization of odor-active compounds of various cherry wines by gas chromatography-mass spectrometry, gas chromatography-olfactometry and their correlation with sensory attributes	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
21417409	20110511	Characterization of odor-active compounds in guava wine	Journal of agricultural and food chemistry
20947252	20110110	Sheep scab control using trans-cinnamic acid	Veterinary parasitology

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	176.083729621
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	176.083729621
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3