Acetato de vinilo - Padrão para GC, ≥99,5% (GC) , CAS No.108-05-4

CAS: 108-05-4 Cat. No.: V104470 Fórmula: C₄H₆O₂ Peso molecular: 86.09 Beilstein Registry Number: 1209327 Número CE: 686-890-7 PubChem CID: 7904

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

Synonyms

AKOS009120081 | Etanoato de vinilo | Vinilo (acetato de) | Éster vinílico do ácido acético | CH3CO2CH=CH2 | Ácido etanoico, éster etenílico | ACETATO DE VINIL (IARC) | NCGC00258371-01 | Acetato de vinilo, inibido | Éster etenílico do ácido acético | Vinil

Storage

Protegido da luz, à temperatura ambiente

Shipped In

FedEx DG Service

Specifications

Sinónimos

AKOS009120081 | Etanoato de vinilo | Vinilo (acetato de) | Éster vinílico do ácido acético | CH3CO2CH=CH2 | Ácido etanoico, éster etenílico | ACETATO DE VINIL (IARC) | NCGC00258371-01 | Acetato de vinilo, inibido | Éster etenílico do ácido acético | Vinil

Especificações e pureza

Padrão para GC, ≥99,5% (GC)

Condições de armazenamento de armazenamento

Protegido da luz, à temperatura ambiente

Enviado em

FedEx DG Service

Grau

Standard for GC

Pureza

≥99.5%(GC)

Nomes e identificadores

Pubchem Sid

508811900

Sorrisos canónicos

CC(=O)OC=C

IUPAC Name

ethenyl acetate

InChIKey

XTXRWKRVRITETP-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

CC(=O)OC=C

WGK Alemanha

2

PubChem CID

7904

Número UN

1301

Grupo de embalagem

II

Peso molecular

86.09

Beilstein

1209327

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

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

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water, soluble in alcohol, ether, acetone, benzene, and chloroform.
• Sensibilidade: Light sensitive.
• Índice de refração: 1.3941
• Ponto de inflamação (°F): 17.6 °F
• Ponto de inflamação (°C): -8℃
• Ponto de ebulição (°C): 72-73°C
• Ponto de fusão (°C): -93 °C
• Peso molecular: 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