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Substance Name: 4-tert-Butylcyclohexanone
RN: 98-53-3
UNII: 4M45G11K23
InChIKey: YKFKEYKJGVSEIX-UHFFFAOYSA-N

Molecular Formula

  • C10-H18-O

Molecular Weight

  • 154.251
 
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Names and Synonyms

Name of Substance

  • 4-tert-Butylcyclohexanone

Synonyms

  • 4-07-00-00082 (Beilstein Handbook Reference)
  • 4-tert-Butylcyclohexanone
  • AI3-04092
  • BRN 0507309
  • C 64
  • Cyclohexanone, 4-(1,1-dimethylethyl)-
  • Cyclohexanone, p-tert-butyl-
  • EC 202-678-5
  • EINECS 202-678-5
  • NSC 73717
  • p-tert-Butylcyclohexanone
  • UNII-4M45G11K23

Systematic Names

  • 4-tert-Butylcyclohexanone
  • Cyclohexanone, 4-(1,1-dimethylethyl)-
  • Cyclohexanone, 4-tert-butyl- (8CI)
  • Cyclohexanone, p-tert-butyl-

Registry Numbers

CAS Registry Number

  • 98-53-3

FDA UNII

  • 4M45G11K23

System Generated Number

  • 0000098533

Structure Descriptors

InChI

1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3

InChIKey

YKFKEYKJGVSEIX-UHFFFAOYSA-N

Smiles

C(C1CCC(=O)CC1)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 729, 1975.
rat LD50 oral 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 729, 1975.