Decyl Decanoate - ≥95% , CAS No.1654-86-0

CAS: 1654-86-0 Cat. No.: D154833 Summenformel: C₂₀H₄₀O₂ Molekulargewicht: 312.53 Beilstein Registry Number: 2(4)1045

GRADE & PURITY ≥95%

Synonyms

Q27274496 | trans-3-Benzyloxycyclobutanecarboxylic?acid | AKOS040744787 | HY-W127389 | WE(10:0/10:0) | DTXSID8061848 | CHEBI:179717 | n-Capric acid n-decyl ester | BAA65486 | Decyl decanoate # | EINECS 216-729-4 | Decanoic Acid Decyl Ester | BS-21670 | MF

Storage

Room temperature,Cool

Shipped In

Normal

Specifications

Synonyme

Q27274496 | trans-3-Benzyloxycyclobutanecarboxylic?acid | AKOS040744787 | HY-W127389 | WE(10:0/10:0) | DTXSID8061848 | CHEBI:179717 | n-Capric acid n-decyl ester | BAA65486 | Decyl decanoate # | EINECS 216-729-4 | Decanoic Acid Decyl Ester | BS-21670 | MF

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Cool

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CCCCCCCCCCOC(=O)CCCCCCCCC
• IUPAC Name: decyl decanoate
• InChIKey: XAKXZZPEUKNHMA-UHFFFAOYSA-N
• INCHI: 1S/C20H40O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
• Isomere SMILES: CCCCCCCCCCOC(=O)CCCCCCCCC
• Molekulargewicht: 312.53
• Beilstein: 2(4)1045
• Reaxy-Rn: 1788109
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1788109&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: Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Fatty acid 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

• Brechungsindex: 1.44
• Flammpunkt (°F): 284℉(lit.)
• Flammpunkt (°C): 140°C(lit.)
• Siedepunkt (°C): 159°C/2mmHg(lit.)
• Molekulargewicht: 312.500 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 312.303 Da
• Monoisotopic Mass: 312.303 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 226.000
• 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