Triolein

• CAS: 122-32-7
• Catalog Number: ACM122327
• Category: Non-ionic Surfactants; Glycerides
• Molecular Weight: 885.43
• Molecular Formula: C57H104O6
• Synonyms: 1,2,3-Propanetriyltri-((E)-9-octadecenoate)
• IUPAC Name: 2,3-Bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate
• 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

Custom Q&A

What is the molecular formula of Triolein?

The molecular formula of Triolein is C57H104O6.

What is another name for Triolein?

Another name for Triolein is Glyceryl Trioleate.

What is the molecular weight of Triolein?

The molecular weight of Triolein is 885.4 g/mol.

How is Triolein synthesized?

Triolein is a triglyceride formed by esterification of the three hydroxy groups of glycerol with oleic acid.

What is the role of Triolein in Caenorhabditis elegans?

Triolein has a role as a Caenorhabditis elegans metabolite.

What is Triolein investigated for the treatment of?

Triolein has been investigated for the treatment of Adrenoleukodystrophy.

In which organisms is Triolein a natural product found?

Triolein is a natural product found in Sciadopitys verticillata, Aloe vera, and other organisms.

What is the InChIKey of Triolein?

The InChIKey of Triolein is PHYFQTYBJUILEZ-IUPFWZBJSA-N.

How many hydrogen bond acceptors does Triolein have?

Triolein has 6 hydrogen bond acceptors.

What is the XLogP3-AA value of Triolein?

The XLogP3-AA value of Triolein is 22.4.

Synthetic Use

Upstream Synthesis Route 1

• 112-80-1
• 56-81-5

• 122-32-7

Reference: [1]Sakakura, Akira; Kawajiri, Kimio; Ohkubo, Takuro; Kosugi, Yuji; Ishihara, Kazuaki
[Journal of the American Chemical Society, 2007, vol. 129, # 47, p. 14775 - 14779]

Downstream Synthesis Route 1

• 122-32-7

• 112-80-1
• 4704-94-3

Reference: [1] Journal of Molecular Catalysis B: Enzymatic, 2014, vol. 102, p. 16 - 24

* For details of the synthesis route, please refer to the original source to ensure accuracy.