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Vinyl Crotonate (stabilized with MEHQ) - 99%, high purity , CAS No.14861-06-4
Basic Description
Synonyms
(E)-vinylbut-2-enoate | SMC9A01NVS | Crotonic acid, vinyl ester, (E)- | EINECS 238-930-6 | trans-Vinyl crotonate | Vinyl (2E)-2-butenoate # | 2-Butenoic acid, ethenyl ester, (2E)- | CHEBI:90695 | SCHEMBL5529 | MFCD00009288 | SCHEMBL55362 | SR-01000944897-
Specifications & Purity
≥99%
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
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Fatty acid esters
Alternative Parents
Enol esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Fatty acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enol ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty 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
Pubchem Sid
504763752
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763752
IUPAC Name
ethenyl (E)-but-2-enoate
INCHI
InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h3-5H,2H2,1H3/b5-3+
InChIKey
IYNRVIKPUTZSOR-HWKANZROSA-N
Smiles
CC=CC(=O)OC=C
Isomeric SMILES
C/C=C/C(=O)OC=C
RTECS
GQ5850000
PubChem CID
5365800
Molecular Weight
112.13
Beilstein
2(3)1263
Reaxy-Rn
1720679
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Slightly soluble in water
Sensitivity
Heat Sensitive
Refractive Index
1.45
Flash Point(°F)
32°C(lit.)
Flash Point(°C)
32°C(lit.)
Boil Point(°C)
134°C(lit.)
Melt Point(°C)
-60 °C
Molecular Weight
112.130 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
112.052 Da
Monoisotopic Mass
112.052 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
114.000
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
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L2203014