1,2-Tetradecanediol - ≥90% , CAS No.21129-09-9

CAS: 21129-09-9 Cat. No.: T103132 Fórmula: C₁₄H₃₀O₂ Peso molecular: 230.39 Beilstein Registry Number: 1748243 Número CE: 244-228-0 PubChem CID: 89436

GRADE & PURITY ≥90%

Synonyms

NSC 71507 | AI3-13104 | DTXSID501021933 | MYRISTYL GLYCOL [INCI] | AKOS015837552 | NCIOpen2_003424 | XJ32081WYO | FT-0638096 | CHEBI:84951 | W-110526 | AM20090178 | 1,2-Tetradecanediol | (+/-)-MYRISTYL GLYCOL | N-TETRADECANE-1,2-DIOL | NSC71507 | NSC-7150

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC 71507 | AI3-13104 | DTXSID501021933 | MYRISTYL GLYCOL [INCI] | AKOS015837552 | NCIOpen2_003424 | XJ32081WYO | FT-0638096 | CHEBI:84951 | W-110526 | AM20090178 | 1,2-Tetradecanediol | (+/-)-MYRISTYL GLYCOL | N-TETRADECANE-1,2-DIOL | NSC71507 | NSC-7150

Especificações e pureza

≥90%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥90%

Nomes e identificadores

Pubchem Sid

508806979

Sorrisos canónicos

CCCCCCCCCCCCC(CO)O

IUPAC Name

tetradecane-1,2-diol

InChIKey

DWANEFRJKWXRSG-UHFFFAOYSA-N

INCHI

1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14-16H,2-13H2,1H3

SMILES isoméricas

CCCCCCCCCCCCC(CO)O

WGK Alemanha

3

PubChem CID

89436

Peso molecular

230.39

Beilstein

1748243

Reaxy-Rn

1721282

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty alcohols
• Alternative Parents: Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long chain fatty alcohol - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.
• External Descriptors: glycol

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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Ponto de fusão (°C): 62-64°C
• Peso molecular: 230.390 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 230.225 Da
• Monoisotopic Mass: 230.225 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 126.000
• 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