Triolein

• Catalog Number: ACM122327
• Product Name: Triolein
• CAS: 122-32-7
• Category: Non-ionic Surfactants
• Synonyms: 1,2,3-Propanetriyltri-((E)-9-octadecenoate)
• IUPAC Name: 2,3-Bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate
• Molecular Weight: 885.43
• Molecular Formula: C57H104O6
• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
• InChI: 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-
• InChI Key: PHYFQTYBJUILEZ-IUPFWZBJSA-N
• Boiling Point: 235-240 °C/18 mmHg(lit.)
• Melting Point: -5.5 °C
• Flash Point: 330 °C
• Density: 0.91 g/mL(lit.)
• Solubility: Insoluble in water
• Appearance: Clear pale yellow liquid
• Storage: -20 °C
• Alpha Sort: Glycerol trioleate
• Assay: 0.9999
• Bond Position Cis Trans: ∆9 Cis
• CNo.Chain: C18:1
• Complexity: 1010
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 884.78329103
• Glyceride: Trioctadecenoin(Olein)
• Heavy Atom Count: 63
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
• Monoisotopic Mass: 884.78329103
• Packaging: 1 kg
• Physical State: Liquid
• Refractive Index: n20/D 1.470
• Rotatable Bond Count: 53
• Stability: Stability Stable, but air and light sensitive. Incompatible with strong oxidizing agents.
• Storage Conditions: 2-8°C
• Topological Polar Surface Area: 78.9 Ų