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

CAS: 108-05-4 Cat. No.: V104470 분자식: C₄H₆O₂ 분자량: 86.09 Beilstein Registry Number: 1209327 EC 번호: 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

동의어

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

사양 및 순도

Standard for GC, ≥99.5%(GC)

보관 조건

Protected from light,Room temperature

배송

FedEx DG Service

등급

Standard for GC

순수함

≥99.5%(GC)

이름과 식별자

Pubchem Sid

508811900

정식 스마일

CC(=O)OC=C

IUPAC Name

ethenyl acetate

InChIKey

XTXRWKRVRITETP-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

CC(=O)OC=C

WGK 독일

2

PubChem CID

7904

UN 번호

1301

포장 그룹

II

분자량

86.09

Beilstein

1209327

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water, soluble in alcohol, ether, acetone, benzene, and chloroform.
• 감도: Light sensitive.
• 굴절률: 1.3941
• 발화점(°F): 17.6 °F
• 발화점(°C): -8℃
• 끓는점(°C): 72-73°C
• 녹는점(°C): -93 °C
• 분자량: 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