Vinyl Crotonate (stabilized with MEHQ) - ≥99% , CAS No.14861-06-4

CAS: 14861-06-4 Cat. No.: V162948 Molecular Weight: 112.13 Beilstein Registry Number: 2(3)1263 EC Number: 238-930-6 PubChem CID: 5365800

GRADE & PURITY ≥99%

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-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

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

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504763752
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763752
• Canonical Smiles: CC=CC(=O)OC=C
• IUPAC Name: ethenyl (E)-but-2-enoate
• InChIKey: IYNRVIKPUTZSOR-HWKANZROSA-N
• INCHI: 1S/C6H8O2/c1-3-5-6(7)8-4-2/h3-5H,2H2,1H3/b5-3+
• 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

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• 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.

DOI: 10.1186/s13321-016-0174-y

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