Trihexyl O-butyrylcitrate

• CAS: 82469-79-2
• Catalog Number: ACM82469792
• Category: Other Products
• Molecular Weight: 514.7g/mol
• Molecular Formula: C28H50O8
• Description: Liquid
• Synonyms: 2,3-propanetricarboxylicacid,2-(1-oxobutoxy)-trihexylester;trihexylo-butyrylcitrate;n-Butyryl tri-n-hexyl citrate;BUTYRYL TRIHEXYL CITRATE;BTHC;TRIHEXYL O-BUTYRYLCITRATE 99%;Butyryl tri-n-hexyl citrate;butyryl-n-trihexylcitrate
• IUPAC Name: trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate
• Canonical SMILES: CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(C(=O)OCCCCCC)OC(=O)CCC
• InChI: InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3
• InChI Key: GWVUTNGDMGTPFE-UHFFFAOYSA-N
• Density: 0.993
• Complexity: 589
• Covalently-Bonded Unit Count: 1
• EC Number: 413-890-4
• Exact Mass: 514.350569g/mol
• Formal Charge: 0
• H-Bond Acceptor: 8
• H-Bond Donor: 0
• Heavy Atom Count: 36
• Monoisotopic Mass: 514.350569g/mol
• Rotatable Bond Count: 27
• UNII: M4974DI70C
• XLogP3: 7.4