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

CAS: 72388-18-2 Cat. No.: D404224 分子式: C₂₈H₅₈O 分子量: 410.77 EC番号: 276-627-0

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥93%

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

≥93%

名前と識別子

パブケム・シド

528756319

カノニカル・スマイル

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

異性体SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CO

分子量

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
    • 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: 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
• 説明: 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

化学的性質と物理的性質

• 引火点（°C）: 137 °C
• 沸点（°C）: 451℃
• 融点（°C）: 35 °C
• 分子量: 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