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Substance Name: Butyryl-n-trihexylcitrate
RN: 82469-79-2
UNII: M4974DI70C
InChIKey: GWVUTNGDMGTPFE-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C28-H50-O8

Molecular Weight

  • 514.695
 
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Names and Synonyms

Name of Substance

  • Butyryl-n-trihexylcitrate

Synonym

  • UNII-M4974DI70C

Systematic Names

  • 1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester
  • 1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester

Registry Numbers

CAS Registry Number

  • 82469-79-2

FDA UNII

  • M4974DI70C

System Generated Number

  • 0082469792

Structure Descriptors

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

InChIKey

GWVUTNGDMGTPFE-UHFFFAOYSA-N

Smiles

CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(C(=O)OCCCCCC)OC(=O)CCC