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Substance Name: 2-sec-Butyl cyclohexanone
RN: 14765-30-1
UNII: 5WA6R1KL5J
InChIKey: RQXTZKGDMNIWJF-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C10-H18-O

Molecular Weight

  • 154.251
 
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Names and Synonyms

Name of Substance

  • 2-sec-Butyl cyclohexanone

Synonyms

  • 2-(1-Methylpropyl)cyclohexanone
  • 2-sec-Butylcyclohexanone
  • BRN 1859137
  • Butylcyclohexanone, O-sec-
  • Cyclohexanone, 2-(1-methylpropyl)-
  • Cyclohexanone, 2-sec-butyl-
  • EINECS 238-830-2
  • FEMA No. 3261
  • NSC 21146
  • UNII-5WA6R1KL5J

Systematic Names

  • 2-sec-Butylcyclohexan-1-one
  • Cyclohexanone, 2-(1-methylpropyl)-
  • Cyclohexanone, 2-sec-butyl- (7CI,8CI)

Superlist Name

  • 2-sec-Butylcyclohexanone

Registry Numbers

CAS Registry Number

  • 14765-30-1

FDA UNII

  • 5WA6R1KL5J

System Generated Number

  • 0014765301

Structure Descriptors

InChI

1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3

InChIKey

RQXTZKGDMNIWJF-UHFFFAOYSA-N

Smiles

C1([C@@H](CCCC1)[C@@H](CC)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 11S, 1992.
rat LD50 oral 2400mg/kg (2400mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 11S, 1992.