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Trihexyl O-butyrylcitrate

Catalog Number
ACM82469792
Product Name
Trihexyl O-butyrylcitrate
Structure
CAS
82469-79-2
Category
Plastic Additives
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
Description
Liquid
IUPAC Name
trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate
Molecular Weight
514.7g/mol
Molecular Formula
C28H50O8
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
Heavy Atom Count
36
MeSH Entry Terms
BTHC;butyl-n-trihexyl-citrate;butyryl-n-trihexylcitrate
Monoisotopic Mass
514.350569g/mol
Rotatable Bond Count
27
UNII
M4974DI70C
XLogP3
7.4
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