Behenyl acetate , CAS No.822-26-4

CAS: 822-26-4 Cat. No.: B353146 Summenformel: C₂₄H₄₈O₂ Molekulargewicht: 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

Synonyme

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

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(=O)C
• Molekulargewicht: 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
    • Klasse Fatty Acyls
      • Subclass Fatty alcohol esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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