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Substance Name: 1,3-Butanediol-1,3-dioctanoate
RN: 4554-00-1
UNII: 13P836X9Q6
InChIKey: LFESLSYSZQYEIZ-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C20-H38-O4

Molecular Weight

  • 342.516
 
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Names and Synonyms

Name of Substance

  • 1,3-Butanediol-1,3-dioctanoate

Synonym

  • UNII-13P836X9Q6

Systematic Names

  • Octanoic acid, 1,1'-(1-methyl-1,3-propanediyl) ester
  • Octanoic acid, 1-methyl-1,3-propanediyl ester

Registry Numbers

CAS Registry Number

  • 4554-00-1

FDA UNII

  • 13P836X9Q6

System Generated Number

  • 0004554001

Structure Descriptors

InChI

1S/C20H38O4/c1-4-6-8-10-12-14-19(21)23-17-16-18(3)24-20(22)15-13-11-9-7-5-2/h18H,4-17H2,1-3H3

InChIKey

LFESLSYSZQYEIZ-UHFFFAOYSA-N

Smiles

O=C(O[C@@H](CCOC(=O)CCCCCCC)C)CCCCCCC