Vinyl acetate - Standard for GC, ≥99.5%(GC) , CAS No.108-05-4

CAS: 108-05-4 Cat. No.: V104470 Formula: C₄H₆O₂ Molecular Weight: 86.09 Beilstein Registry Number: 1209327 EC Number: 686-890-7 PubChem CID: 7904

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

AKOS009120081 | Vinyl ethanoate | Vinyle (acetate de) | Acetic acid vinyl ester | CH3CO2CH=CH2 | Ethanoic acid, ethenyl ester | VINYL ACETATE (IARC) | NCGC00258371-01 | Vinyl acetate, inhibited | Acetic acid ethenyl ester | Vinile | Vinnapas A 50 | Acetic

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

AKOS009120081 | Vinyl ethanoate | Vinyle (acetate de) | Acetic acid vinyl ester | CH3CO2CH=CH2 | Ethanoic acid, ethenyl ester | VINYL ACETATE (IARC) | NCGC00258371-01 | Vinyl acetate, inhibited | Acetic acid ethenyl ester | Vinile | Vinnapas A 50 | Acetic

Specifications & Purity

Standard for GC, ≥99.5%(GC)

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Grade

Standard for GC

Purity

≥99.5%(GC)

Names and Identifiers

Pubchem Sid

508811900

Canonical Smiles

CC(=O)OC=C

IUPAC Name

ethenyl acetate

InChIKey

XTXRWKRVRITETP-UHFFFAOYSA-N

INCHI

1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3

Isomeric SMILES

CC(=O)OC=C

WGK Germany

2

PubChem CID

7904

UN Number

1301

Packing Group

II

Molecular Weight

86.09

Beilstein

1209327

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Enol esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Enol esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enol ester - Monocarboxylic acid or derivatives - 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 enol esters. These are ester derivatives of enols. They have the general formula RC=COC(=O)R' where R, R' = H or organyl group.
• External Descriptors: acetate ester

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

Associated Targets(Human)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water, soluble in alcohol, ether, acetone, benzene, and chloroform.
• Sensitivity: Light sensitive.
• Refractive Index: 1.3941
• Flash Point(°F): 17.6 °F
• Flash Point(°C): -8℃
• Boil Point(°C): 72-73°C
• Melt Point(°C): -93 °C
• Molecular Weight: 86.090 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 86.0368 Da
• Monoisotopic Mass: 86.0368 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 65.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1