2-Butylhexanal - ≥95% , CAS No.18459-51-3

CAS: 18459-51-3 Cat. No.: B300070 分子式: C₁₀H₂₀O 分子量: 156.27 EC番号: 623-200-5

GRADE & PURITY ≥95%

Synonyms

2-butylhexanal | 2-butyl-hexanal | Di-n-butylacetaldehyde | DI-N-BUTYLACETALDEHYDE 98 | dibutylacetaldehyde | Di-n-butylacetaldehyde, 98% | RACNVJFSQSOKGQ-UHFFFAOYSA-N | DTXSID70391619 | J-011830 | SCHEMBL348615 | AKOS015912815 | Di-N-butylacetaldehyde,9

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

2-butylhexanal | 2-butyl-hexanal | Di-n-butylacetaldehyde | DI-N-BUTYLACETALDEHYDE 98 | dibutylacetaldehyde | Di-n-butylacetaldehyde, 98% | RACNVJFSQSOKGQ-UHFFFAOYSA-N | DTXSID70391619 | J-011830 | SCHEMBL348615 | AKOS015912815 | Di-N-butylacetaldehyde,9

仕様と純度

≥95%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥95%

名前と識別子

• カノニカル・スマイル: CCCCC(CCCC)C=O
• IUPAC Name: 2-butylhexanal
• InChIKey: RACNVJFSQSOKGQ-UHFFFAOYSA-N
• INCHI: 1S/C10H20O/c1-3-5-7-10(9-11)8-6-4-2/h9-10H,3-8H2,1-2H3
• 異性体SMILES: CCCCC(CCCC)C=O
• 分子量: 156.27
• Reaxy-Rn: 1750741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1750741&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Medium-chain aldehydes
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
• 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: air sensitive
• 屈折率: 1.4260
• 引火点（°F）: 97°F
• 沸点（°C）: 85℃/10mm Hg
• 分子量: 156.260 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 156.151 Da
• Monoisotopic Mass: 156.151 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 80.900
• 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