1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, trihexyl ester

Base Information

• Chemical Name: 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, trihexyl ester
• CAS No.: 24817-92-3
• Molecular Formula: C26H46O8
• Molecular Weight: 486.64
• European Community (EC) Number: 810-150-6
• UNII: Z94E579Y3C
• DSSTox Substance ID: DTXSID3051915
• Nikkaji Number: J261.980F
• Wikidata: Q27295169
• Mol file: 24817-92-3.mol

Synonyms:acetyl trihexyl citrate

Chemical Property of 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, trihexyl ester

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 4.84E-10mmHg at 25°C
• Refractive Index: n20/D 1.447(lit.)
• Boiling Point: 497.688 °C at 760 mmHg
• Flash Point: 205.173 °C
• PSA: 105.20000
• Density: 1.032 g/cm³
• LogP: 5.43900
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 25
• Exact Mass: 486.31926842
• Heavy Atom Count: 34
• Complexity: 559

Purity/Quality:

99.9% ^*data from raw suppliers

TRIHEXYL O-ACETYLCITRATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(C(=O)OCCCCCC)OC(=O)C