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Substance Name: Trihexyldecyl citrate
RN: 58200-64-9
UNII: 3H9QKO17ON
InChIKey: AIOYXEXTLYLYRU-UHFFFAOYSA-N

Molecular Formula

  • C54-H104-O7

Molecular Weight

  • 865.4086
 
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Names and Synonyms

Name of Substance

  • Trihexyldecyl citrate

Synonyms

  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tris(2-hexyldecyl) ester
  • Trihexyldecyl citrate
  • Trihexyldecyl citrate [INCI]
  • UNII-3H9QKO17ON

Registry Numbers

CAS Registry Number

  • 58200-64-9

FDA UNII

  • 3H9QKO17ON

System Generated Number

  • 0058200649

Structure Descriptors

InChI

1S/C54H104O7/c1-7-13-19-25-28-34-40-48(37-31-22-16-10-4)45-59-51(55)43-54(58,53(57)61-47-50(39-33-24-18-12-6)42-36-30-27-21-15-9-3)44-52(56)60-46-49(38-32-23-17-11-5)41-35-29-26-20-14-8-2/h48-50,58H,7-47H2,1-6H3

InChIKey

AIOYXEXTLYLYRU-UHFFFAOYSA-N

Smiles

CCCCCCCCC(CCCCCC)COC(=O)CC(CC(=O)OCC(CCCCCC)CCCCCCCC)(C(=O)OCC(CCCCCC)CCCCCCCC)O