1,2-Heptanediol - ≥98% , CAS No.3710-31-4

CAS: 3710-31-4 Cat. No.: H156868 分子式: C₇H₁₆O₂ 分子量: 132.20 EC番号: 855-780-2

グレード＆純度 ≥98%

Synonyms

AI3-13217 | H0948 | SCHEMBL153368 | MFCD01861287 | A874185 | AKOS027321028 | 1,2-Heptanediol | GCXZDAKFJKCPGK-UHFFFAOYSA- | SB84082 | heptane-1,2-diol | InChI=1/C7H16O2/c1-2-3-4-5-7(9)6-8/h7-9H,2-6H2,1H3 | AS-56767 | DTXSID50958269 | FT-0690837 | 1,2-Dihy

Storage

Store at 2-8°C

Shipped In

Wet ice

仕様

同義語

AI3-13217 | H0948 | SCHEMBL153368 | MFCD01861287 | A874185 | AKOS027321028 | 1,2-Heptanediol | GCXZDAKFJKCPGK-UHFFFAOYSA- | SB84082 | heptane-1,2-diol | InChI=1/C7H16O2/c1-2-3-4-5-7(9)6-8/h7-9H,2-6H2,1H3 | AS-56767 | DTXSID50958269 | FT-0690837 | 1,2-Dihy

仕様と純度

≥98%

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

≥98%

名前と識別子

カノニカル・スマイル

CCCCCC(CO)O

IUPAC Name

heptane-1,2-diol

InChIKey

GCXZDAKFJKCPGK-UHFFFAOYSA-N

INCHI

1S/C7H16O2/c1-2-3-4-5-7(9)6-8/h7-9H,2-6H2,1H3

異性体SMILES

CCCCCC(CO)O

分子量

132.20

Reaxy-Rn

1719535

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719535&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six 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

• 屈折率: 1.44
• 沸点（°C）: 130°C/11mmHg(lit.)
• 分子量: 132.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 132.115 Da
• Monoisotopic Mass: 132.115 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 54.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1