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

CAS: 1119-87-5 Cat. No.: D156002 Fórmula: C₁₂H₂₆O₂ Peso molecular: 202.34 Beilstein Registry Number: 1700180 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥93%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥93%(GC)

Nombres e identificadores

Pubchem Sid

488186734

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

CCCCCCCCCCC(CO)O

WGK Alemania

1

Peso molecular

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
    • Clase Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 58 °C
• Peso molecular: 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