Glyceryl trielaidate - ≥99% , CAS No.537-39-3

CAS: 537-39-3 Cat. No.: G465558 Summenformel: C₅₇H₁₀₄O₆ Molekulargewicht: 885.45

GRADE & PURITY ≥99%

Synonyms

glycerine trioleate | propane-1,2,3-triyl tris[(9E)-octadec-9-enoate] | T1392 | Glycerol Elaidate | FEMA Number 2541 | CHEBI:53759 | AKOS015903859 | 9-Octadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E)- | BUCS | DTXSID101318457 | 2,3-Bis[(9E)-9-octadece

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

glycerine trioleate | propane-1,2,3-triyl tris[(9E)-octadec-9-enoate] | T1392 | Glycerol Elaidate | FEMA Number 2541 | CHEBI:53759 | AKOS015903859 | 9-Octadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E)- | BUCS | DTXSID101318457 | 2,3-Bis[(9E)-9-octadece

Spezifikationen & Reinheit

≥99%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥99%

Namen und Kennungen

Kanonisches Lächeln

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

IUPAC Name

2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl (E)-octadec-9-enoate

InChIKey

PHYFQTYBJUILEZ-WUOFIQDXSA-N

INCHI

1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27+

Isomere SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC

Molekulargewicht

885.45

Reaxy-Rn

1718691

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718691&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Glycerolipids
• Subclass: Triradylcglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Triacylglycerols
• Alternative Parents: Tricarboxylic acids and derivatives Fatty acid esters Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Triacyl-sn-glycerol - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid ester - 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 triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
• External Descriptors: triglyceride

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

• Schmelzpunkt (°C): 42 °C
• Molekulargewicht: 885.400 g/mol
• XLogP3: 22.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 53
• Exact Mass: 884.783 Da
• Monoisotopic Mass: 884.783 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 63
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1