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(E)-Ethyl 3-(4-hydroxyphenyl)acrylate - 10mM in DMSO, high purity , CAS No.7362-39-2
Basic Description
Synonyms
p-Coumaric acid ethyl ester | 7362-39-2 | (E)-Ethyl 3-(4-hydroxyphenyl)acrylate | Ethyl coumarate | Ethyl p-Coumarate | 2979-06-8 | Ethyl 3-(4-hydroxyphenyl)acrylate | p-hydroxyl ethyl cinnamate | ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate | ethyl (E)-p-hydroxycinnamate | CH
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Hydroxycinnamic acid esters
Direct Parent
Coumaric acid esters
Alternative Parents
Coumaric acids and derivatives Cinnamic acid esters Styrenes Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid ester - Coumaric acid or derivatives - Cinnamic acid ester - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
INCHI
InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+
InChIKey
ZOQCEVXVQCPESC-VMPITWQZSA-N
Smiles
CCOC(=O)C=CC1=CC=C(C=C1)O
Isomeric SMILES
CCOC(=O)/C=C/C1=CC=C(C=C1)O
Molecular Weight
192.21
Reaxy-Rn
2691225
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2691225&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
65-68 °C
Molecular Weight
192.210 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
192.079 Da
Monoisotopic Mass
192.079 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
203.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Xiaohua Nie, Mengqing Chen, Chengyu Jin, Xiaoyu Zhou, Ningxiang Yu, Yuanchao Lu, Xianghe Meng.
(2025)
A comprehensive study of defatted Idesia polycarpa fruit: Phenolic profile and its relation with anti-inflammatory activity in seed, pulp, and whole fruit. Food Bioscience,
66
(106228).
2.
Xiaochen Zhang, Jiahong Jian, Zisheng Luo, Guo Li, Yifeng Huang, Yue Wu, Dong Li, Li Li.
(2024)
Fabrication of edible nanocellulose chitosan bi-component film based on a novel “swell-permeate” approach. CARBOHYDRATE POLYMERS,
346
(122632).
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2 Citations