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Substance Name: 4-tert-Butylcyclohexanol
RN: 98-52-2
UNII: K0H1405S9C
InChIKey: CCOQPGVQAWPUPE-UHFFFAOYSA-N

Molecular Formula

  • C10-H20-O

Molecular Weight

  • 156.267
 
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Names and Synonyms

Name of Substance

  • 4-tert-Butylcyclohexanol

Synonyms

  • 1-06-00-00018 (Beilstein Handbook Reference)
  • 4-tert-Butylcyclohexanol
  • AI3-02503
  • BRN 1902277
  • Cyclohexanol, 4-(1,1-dimethylethyl)-
  • EC 202-676-4
  • EINECS 202-676-4
  • NSC 404197
  • p-tert-Butylcyclohexanol
  • Padaryl
  • UNII-K0H1405S9C
  • USAF DO-20

Systematic Names

  • 4-tert-Butylcyclohexanol
  • Cyclohexanol, 4-(1,1-dimethylethyl)-
  • Cyclohexanol, 4-tert-butyl-

Superlist Name

  • Cyclohexanol, 4-tert-butyl-

Registry Numbers

CAS Registry Number

  • 98-52-2

FDA UNII

  • K0H1405S9C

System Generated Number

  • 0000098522

Structure Descriptors

InChI

1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3

InChIKey

CCOQPGVQAWPUPE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 833, 1974.
rat LD50 oral 4200mg/kg (4200mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 833, 1974.