Linoleic Anhydride - ≥90%(T) , CAS No.24909-68-0

CAS: 24909-68-0 Cat. No.: L157734 Summenformel: C₃₆H₆₂O₃ Molekulargewicht: 542.89 Beilstein Registry Number: 2(1)214 EG-Nummer: 631-059-6

GRADE & PURITY ≥90%(T)

Synonyms

9,12-Octadecadiensäure (9Z,12Z)-, Anhydrid | 9,12-Octadecadiensäure (9Z,12Z)-, 1,1'-Anhydrid | T72159 | Octadeca-9,12-Dienoyl-Octadeca-9,12-dienoat | (9Z,12Z)-Octadeca-9,12-diensäureanhydrid | FT-0638470

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Specifications

Synonyme

9,12-Octadecadiensäure (9Z,12Z)-, Anhydrid | 9,12-Octadecadiensäure (9Z,12Z)-, 1,1'-Anhydrid | T72159 | Octadeca-9,12-Dienoyl-Octadeca-9,12-dienoat | (9Z,12Z)-Octadeca-9,12-diensäureanhydrid | FT-0638470

Spezifikationen & Reinheit

≥90%(T)

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥90%(T)

Namen und Kennungen

Pubchem Sid

504756044

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756044

Kanonisches Lächeln

CCCCCC=CCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCC=CCCCCC

IUPAC Name

octadeca-9,12-dienoyl octadeca-9,12-dienoate

InChIKey

BDTYMGCNULYACO-UHFFFAOYSA-N

INCHI

1S/C36H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-34H2,1-2H3

Isomere SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCC=CCCCCC

Molekulargewicht

542.89

Beilstein

2(1)214

Reaxy-Rn

1730289

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Lineolic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lineolic acids and derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Octadecanoid - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - 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 lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive. &heat sensitive
• Brechungsindex: 1.48
• Molekulargewicht: 542.900 g/mol
• XLogP3: 13.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 30
• Exact Mass: 542.47 Da
• Monoisotopic Mass: 542.47 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 600.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 4
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1