Behenyl acetate , CAS No.822-26-4

CAS: 822-26-4 Cat. No.: B353146 分子式: C₂₄H₄₈O₂ 分子量: 368.64

Synonyms

FT-0632980 | Docosanyl acetate | 1-Docosanol, acetate | Docosanol acetate | Docosyl acetate # | LMFA07010405 | Behenyl acetate, ~99% | Docosan-1-yl acetate | CHEBI:180075 | AKOS024390961 | HY-W127606 | AWYRDXDPCQRJHE-UHFFFAOYSA-N | n-Docosyl acetate | Doc

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

FT-0632980 | Docosanyl acetate | 1-Docosanol, acetate | Docosanol acetate | Docosyl acetate # | LMFA07010405 | Behenyl acetate, ~99% | Docosan-1-yl acetate | CHEBI:180075 | AKOS024390961 | HY-W127606 | AWYRDXDPCQRJHE-UHFFFAOYSA-N | n-Docosyl acetate | Doc

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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。

名前と識別子

カノニカル・スマイル

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C

IUPAC Name

docosyl acetate

InChIKey

AWYRDXDPCQRJHE-UHFFFAOYSA-N

INCHI

1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(2)25/h3-23H2,1-2H3

異性体SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C

分子量

368.64

Reaxy-Rn

1796625

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1796625&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty alcohol esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
• External Descriptors: Wax monoesters

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

• 分子量: 368.600 g/mol
• XLogP3: 11.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 22
• Exact Mass: 368.365 Da
• Monoisotopic Mass: 368.365 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 275.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1