2-Octen-4-one - ≥96%(GC) , CAS No.4643-27-0

CAS: 4643-27-0 Cat. No.: O160046 分子式: C₈H₁₄O 分子量: 126.2 Beilstein Registry Number: 1(4)3489 EC番号: 225-071-7

GRADE & PURITY ≥96%(GC)

Synonyms

T72492 | BUTYL 1-PROPENYL KETONE | DTXCID1027134 | O0360 | C9NB51LMXT | 2-2'-Dihydroxy-4-methoxybenzophenone | BS-22947 | (2E)-oct-2-en-4-one | 2-Octen-4-one, (2E)- | Phthaloylsulfacetamide | CAS-4643-27-0 | CHEBI:172018 | NCGC00256657-01 | Butyl propenyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

T72492 | BUTYL 1-PROPENYL KETONE | DTXCID1027134 | O0360 | C9NB51LMXT | 2-2'-Dihydroxy-4-methoxybenzophenone | BS-22947 | (2E)-oct-2-en-4-one | 2-Octen-4-one, (2E)- | Phthaloylsulfacetamide | CAS-4643-27-0 | CHEBI:172018 | NCGC00256657-01 | Butyl propenyl

仕様と純度

≥96%(GC)

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%(GC)

名前と識別子

パブケム・シド

504763754

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504763754

カノニカル・スマイル

CCCCC(=O)C=CC

IUPAC Name

(E)-oct-2-en-4-one

InChIKey

FMDLEUPBHMCPQV-GQCTYLIASA-N

INCHI

1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+

異性体SMILES

CCCCC(=O)/C=C/C

分子量

126.2

Beilstein

1(4)3489

Reaxy-Rn

8899126

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8899126&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Enones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Enones
• Alternative Parents: Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
• 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

化学的性質と物理的性質

• 感度: Heat Sensitive
• 屈折率: 1.45
• 引火点（°F）: 58°C(lit.)
• 引火点（°C）: 58°C(lit.)
• 沸点（°C）: 66°C/10mmHg(lit.)
• 分子量: 126.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 126.104 Da
• Monoisotopic Mass: 126.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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

よくある質問

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4643-27-0, the molecular formula is C8H14O, and the molecular weight is 126.2 g/mol. InChIKey FMDLEUPBHMCPQV-GQCTYLIASA-N.

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.