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Vinyl cinnamate - ≥95%, high purity , CAS No.3098-92-8
Basic Description
Synonyms
FS-9600 | WGXGKXTZIQFQFO-CMDGGOBGSA-N | Cinnamic Acid Vinyl Ester | Vinyl cinnamate | CINNAMICACID VINYLESTER | Vinyl (2E)-3-phenyl-2-propenoate # | AKOS025295124 | DTXSID601020990 | ethenyl (E)-3-phenylprop-2-enoate | Vinyl Cinnamate (stabilized with MEH
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
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
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
Styrenes Fatty acid esters Enol esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid ester - Styrene - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Enoate ester - Enol ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic 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.
Names and Identifiers
IUPAC Name
ethenyl (E)-3-phenylprop-2-enoate
INCHI
InChI=1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h2-9H,1H2/b9-8+
InChIKey
WGXGKXTZIQFQFO-CMDGGOBGSA-N
Smiles
C=COC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
C=COC(=O)/C=C/C1=CC=CC=C1
PubChem CID
5371819
Molecular Weight
174.2
Reaxy-Rn
2043181
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.59
Flash Point(°F)
132°C(lit.)
Flash Point(°C)
132°C(lit.)
Boil Point(°C)
125 °C/6.8 mmHg
Melt Point(°C)
-28 °C
Molecular Weight
174.200 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
174.068 Da
Monoisotopic Mass
174.068 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
200.000
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.
Qianrui Zhao, Xi Zhang, Meng Zhou, Miao Lai, Dingxia Zhou, Yake Wang, Fang Liu, Mingqin Zhao.
(2023)
Condition optimization and kinetic evaluation of Novozym 435-catalyzed synthesis of aroma pyridine esters. Molecular Catalysis,
550
(113532).
2.
Jie Liu, Ailing Hui, Jinghe Wang, Qingfeng Hu, Shengnan Li, Yuanli Chen, Zeyu Wu, Wencheng Zhang.
(2023)
Discovery of acylated isoquercitrin derivatives as potent anti-neuroinflammatory agents in vitro and in vivo. CHEMICO-BIOLOGICAL INTERACTIONS,
(110675).
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2 Citations