2-Dodecylhexadecan-1-ol - ≥93% , CAS No.72388-18-2

CAS: 72388-18-2 Cat. No.: D404224 Fórmula: C₂₈H₅₈O Peso molecular: 410.77 Número CE: 276-627-0

GRAU & PUREZA ≥93%

Synonyms

MFCD27665210 | XO7ECC3647 | 2-Dodecylhexadecan-1-ol | GUERBET C28 | dodecylhexadecanol | SCHEMBL810157 | UNII-XO7ECC3647 | 2-Dodecylcetylalkohol | XCA38818 | DTXSID40888147 | ISOFOL 28 ALCOHOL | EINECS 276-627-0 | 1-Hexadecanol, 2-dodecyl- | 1-Hexadecanol

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

MFCD27665210 | XO7ECC3647 | 2-Dodecylhexadecan-1-ol | GUERBET C28 | dodecylhexadecanol | SCHEMBL810157 | UNII-XO7ECC3647 | 2-Dodecylcetylalkohol | XCA38818 | DTXSID40888147 | ISOFOL 28 ALCOHOL | EINECS 276-627-0 | 1-Hexadecanol, 2-dodecyl- | 1-Hexadecanol

Especificações e pureza

≥93%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥93%

Nomes e identificadores

Pubchem Sid

528756319

Sorrisos canónicos

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CO

IUPAC Name

2-dodecylhexadecan-1-ol

InChIKey

DEMBLPGWNXUBIQ-UHFFFAOYSA-N

INCHI

1S/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3

SMILES isoméricas

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CO

Peso molecular

410.77

Reaxy-Rn

8594133

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8594133&ln=

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: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long chain fatty alcohol - 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: 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

Propriedades químicas e físicas

• Ponto de inflamação (°C): 137 °C
• Ponto de ebulição (°C): 451℃
• Ponto de fusão (°C): 35 °C
• Peso molecular: 410.800 g/mol
• XLogP3: 13.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 25
• Exact Mass: 410.449 Da
• Monoisotopic Mass: 410.449 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 275.000
• 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