Ethyl hydrocinnamate - CAS 2021-28-5

Catalog:	BB015714
Product Name:	Ethyl hydrocinnamate
CAS:	2021-28-5
Synonyms:	ethyl 3-phenylpropanoate

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	ethyl 3-phenylpropanoate
Description:	Ethyl hydrocinnamate (CAS# 2021-28-5) is also used in the synthesis pyrimidine based inhibitors of cyclin-dependant kinases. It is also used to preparation of inhibitor BB-3497.
Molecular Weight:	178.23
Molecular Formula:	C11H14O2
Canonical SMILES:	CCOC(=O)CCC1=CC=CC=C1
InChI:	InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:	JAGZUIGGHGTFHO-UHFFFAOYSA-N
Boiling Point:	247-249 °C
Purity:	98 %
Density:	1.1 g/cm³
Solubility:	0.22 mg/mL at 25 °C
Appearance:	Clear colorless liquid.
MDL:	MFCD00009206
LogP:	2.18230

Publication Number	Title	Priority Date
US-2021188749-A1	Surfactant Performance Through Carbon Chain Extension And Lower Branching	20191219
US-2021189289-A1	Functionalized Branched Alcohols As Non-Ionic Sugar Surfactants	20191219
US-2021130686-A1	Quantum dot-containing complex, and light-emitting device, optical member, and device, each including the same	20191101
EP-3816262-A1	Quantum dot-containing complex, and light-emitting device, optical member, and device, each including the same	20191101
US-2021121593-A1	Green bin odor reduction composition and use thereof	20191028

PMID	Publication Date	Title	Journal
22305539	20120401	Synergism between microwave irradiation and enzyme catalysis in transesterification of ethyl-3-phenylpropanoate with n-butanol	Bioresource technology
21417409	20110511	Characterization of odor-active compounds in guava wine	Journal of agricultural and food chemistry
21731373	20101001	Phytochemical and pharmacological review of Lagenaria sicereria	Journal of Ayurveda and integrative medicine
20645716	20100401	Antifungal activity of extracts of some plants used in Brazilian traditional medicine against the pathogenic fungus Paracoccidioides brasiliensis	Pharmaceutical biology
20355313	20100101	Bioreduction of some common carbonylic compounds mediated by yeasts	Zeitschrift fur Naturforschung. C, Journal of biosciences

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Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.099379685
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.099379685
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7