1,2-Dodecanediol - ≥93%(GC) , CAS No.1119-87-5

CAS: 1119-87-5 Cat. No.: D156002 分子式: C₁₂H₂₆O₂ 分子量: 202.34 Beilstein Registry Number: 1700180 EC番号: 214-289-8

GRADE & PURITY ≥93%(GC)

Synonyms

SCHEMBL135220 | EINECS 214-289-8 | NSC 25930 | 1,2-Dodecanediol(Flakes or Chunks) | 19-Nor-1,25-(OH)2D2 | Cidoxepin hydrochloride [USAN] | racemic 1,2-dodecanediol | 1,2-Dihydroxydodecane | D1861 | W-109645 | EMM0U4H102 | LAURYL GLYCOL [INCI] | 1,2-Dodeca

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

SCHEMBL135220 | EINECS 214-289-8 | NSC 25930 | 1,2-Dodecanediol(Flakes or Chunks) | 19-Nor-1,25-(OH)2D2 | Cidoxepin hydrochloride [USAN] | racemic 1,2-dodecanediol | 1,2-Dihydroxydodecane | D1861 | W-109645 | EMM0U4H102 | LAURYL GLYCOL [INCI] | 1,2-Dodeca

仕様と純度

≥93%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥93%(GC)

名前と識別子

パブケム・シド

488186734

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488186734

カノニカル・スマイル

CCCCCCCCCCC(CO)O

IUPAC Name

dodecane-1,2-diol

InChIKey

ZITKDVFRMRXIJQ-UHFFFAOYSA-N

INCHI

1S/C12H26O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12-14H,2-11H2,1H3

異性体SMILES

CCCCCCCCCCC(CO)O

WGKドイツ

1

分子量

202.34

Beilstein

1700180

Reaxy-Rn

1700179

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700179&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

• 融点（°C）: 58 °C
• 分子量: 202.330 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 202.193 Da
• Monoisotopic Mass: 202.193 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 104.000
• 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