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Substance Name: Methylbutylphenyl octyloxybenzoate, (2S)-
RN: 69777-61-3
UNII: PM117M1KUL
InChIKey: XSEXHHROOVDZBQ-NRFANRHFSA-N

Classification Code

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

Molecular Formula

  • C26-H36-O3

Molecular Weight

  • 396.5674
 
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Names and Synonyms

Name of Substance

  • Methylbutylphenyl octyloxybenzoate, (2S)-

Synonyms

  • EINECS 274-113-0
  • UNII-PM117M1KUL

Systematic Names

  • 4-(2-Methylbutyl)phenyl (S)-4-(octyloxy)benzoate
  • Benzoic acid, 4-(octyloxy)-, 4-((2S)-2-methylbutyl)phenyl ester

Registry Numbers

CAS Registry Number

  • 69777-61-3

FDA UNII

  • PM117M1KUL

System Generated Number

  • 0069777613

Structure Descriptors

InChI

1S/C26H36O3/c1-4-6-7-8-9-10-19-28-24-17-13-23(14-18-24)26(27)29-25-15-11-22(12-16-25)20-21(3)5-2/h11-18,21H,4-10,19-20H2,1-3H3/t21-/m0/s1

InChIKey

XSEXHHROOVDZBQ-NRFANRHFSA-N

Smiles

CCCCCCCCOc1ccc(cc1)C(=O)Oc2ccc(C[C@@H](C)CC)cc2