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Substance Name: Butyloctanoic acid
RN: 27610-92-0
UNII: 89379760R4
InChIKey: OARDBPIZDHVTCK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.32
 
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Names and Synonyms

Name of Substance

  • Butyloctanoic acid

Synonyms

  • 2-Butyloctanoic acid
  • 2-Butyloctansaeure
  • 2-Butyloctansaeure [German]
  • 4-02-00-01112 (Beilstein Handbook Reference)
  • 5-Undecanecarboxylic acid
  • BRN 1765736
  • EINECS 248-570-1
  • UNII-89379760R4

Systematic Names

  • 2-Butyloctanoic acid
  • Octanoic acid, 2-butyl-

Registry Numbers

CAS Registry Number

  • 27610-92-0

FDA UNII

  • 89379760R4

Other Registry Number

  • 53687-45-9

System Generated Number

  • 0027610920

Structure Descriptors

InChI

1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)

InChIKey

OARDBPIZDHVTCK-UHFFFAOYSA-N

Smiles

C([C@@H](CCCC)C(O)=O)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 86, 1953.
rat LDLo intraperitoneal 450mg/kg (450mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 86, 1953.