Trihexanoin

• CAS: 621-70-5
• Catalog Number: ACM621705
• Category: Other Products
• Molecular Weight: 386.52
• Molecular Formula: C21H38O6
• Synonyms: 1,2,3-Tricaproylglycerol
• IUPAC Name: 2,3-Di(hexanoyloxy)propyl hexanoate
• Canonical SMILES: CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC
• InChI: InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3
• InChI Key: MAYCICSNZYXLHB-UHFFFAOYSA-N
• Boiling Point: 244 °C/28 mmHg
• Melting Point: -60 °C
• Flash Point: 180.2 °C
• Density: 0.98 g/mL(lit.)
• Appearance: Liquid
• Storage: -20 °C
• Complexity: 382
• Exact Mass: 386.26683893
• Monoisotopic Mass: 386.26683893
• Refractive Index: n20/D 1.442
• Safety Description: 23-24/25
• Supplemental Hazard Statements: H302+H312+H332
• Symbol: GHS07
• Topological Polar Surface Area: 78.9 Ų

Custom Q&A

What is the molecular formula of Trihexanoin?

The molecular formula of Trihexanoin is C21H38O6.

What are some synonyms of Trihexanoin?

Some synonyms of Trihexanoin are TRICAPROIN, Glycerol trihexanoate, and Tricapronin.

What is the molecular weight of Trihexanoin?

The molecular weight of Trihexanoin is 386.5 g/mol.

When was Trihexanoin first created and last modified?

Trihexanoin was first created on March 26, 2005, and last modified on December 30, 2023.

What is the role of Trihexanoin?

Trihexanoin has a role as an insect repellent.

What is the IUPAC name of Trihexanoin?

The IUPAC name of Trihexanoin is 2,3-di(hexanoyloxy)propyl hexanoate.

What is the InChIKey of Trihexanoin?

The InChIKey of Trihexanoin is MAYCICSNZYXLHB-UHFFFAOYSA-N.

What is the canonical SMILES representation of Trihexanoin?

The canonical SMILES representation of Trihexanoin is CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC.

What is the XLogP3-AA value of Trihexanoin?

The XLogP3-AA value of Trihexanoin is 5.7.

What is the exact mass of Trihexanoin?

The exact mass of Trihexanoin is 386.26683893 g/mol.