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Substance Name: Octanoic acid, 3,3-dimethyl-8-fluoro-
RN: 333-33-5
InChIKey: LLJMYCREEQNSLU-UHFFFAOYSA-N

Molecular Formula

  • C10-H19-F-O2

Molecular Weight

  • 190.256
 
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Names and Synonyms

Synonyms

  • 4-02-00-01063 (Beilstein Handbook Reference)
  • 8-Fluoro-3,3-dimethyloctanoic acid
  • BRN 1767746

Systematic Name

  • Octanoic acid, 3,3-dimethyl-8-fluoro-

Registry Numbers

CAS Registry Number

  • 333-33-5

System Generated Number

  • 0000333335

Structure Descriptors

InChI

1S/C10H19FO2/c1-10(2,6-3-4-8-11)7-5-9(12)13/h3-8H2,1-2H3,(H,12,13)

InChIKey

LLJMYCREEQNSLU-UHFFFAOYSA-N

Smiles

C(CCC(O)=O)(CCCCF)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 121mg/kg (121mg/kg)   Journal of the American Chemical Society. Vol. 79, Pg. 2308, 1957.