Trihexyl O-butyrylcitrate

CAS
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CAS
82469-79-2
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Catalog Number

ACM82469792

Product Name

Trihexyl O-butyrylcitrate

Structure

CAS

82469-79-2

Category

Heterocyclic Organic Compound

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

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

EC Number

413-890-4

Exact Mass

514.350569g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

514.350569g/mol

Rotatable Bond Count

UNII

M4974DI70C

XLogP3

7.4

MSDS

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COA

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Spec Sheet

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