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Substance Name: Hexanoic acid, 2-isopropyl-5-methyl-
RN: 4384-07-0
InChIKey: ZOINHQMIOAPOSQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H20-O2

Molecular Weight

  • 172.266
 
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Names and Synonyms

Synonyms

  • 2,4-Di-isopropylbuttersaeure
  • 2,4-Di-isopropylbuttersaeure [German]
  • 2-(1'-Methylpropylcapronsaeure)
  • 2-(1'-Methylpropylcapronsaeure) [German]
  • 2-Isopropyl-5-methylhexanoic acid
  • 3-Heptanecarboxylic acid, 2,6-dimethyl-
  • 4-02-00-01067 (Beilstein Handbook Reference)
  • alpha,gamma-Diisopropylbutyric acid
  • BRN 1757972

Systematic Names

  • Hexanoic acid, 2-isopropyl-5-methyl-
  • Hexanoic acid, 5-methyl-2-(1-methylethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 4384-07-0

System Generated Number

  • 0004384070

Structure Descriptors

InChI

1S/C10H20O2/c1-7(2)5-6-9(8(3)4)10(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)

InChIKey

ZOINHQMIOAPOSQ-UHFFFAOYSA-N

Smiles

C([C@@H](C(C)C)C(O)=O)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 86, 1953.
rat LDLo intraperitoneal 1750mg/kg (1750mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 86, 1953.