4-tert-butylcyclohexanol

Synonyms: "cis-4-tert-butylcyclohexanol", "trans-4-tert-butylcyclohexanol", "4-(tert-butyl)cyclohexanol", "cis-4-(tert-butyl)cyclohexanol", "4-tert-butylcyclohexan-1-ol", "p-tert-butylcyclohexanol", "trans-4-(tert-Butyl)cyclohexanol", "4-t-Butylcyclohexanol", "4-tert-Butyl cyclohexanol".

Source: 4-tert-butylcyclohexanol is a raw material of 4-tert-butylcycloheyl acetate, which is widely used as a perfume for cosmetics, personal care products and fragrances.

Identifiers:

IUPAC Name: 4-tert-butylcyclohexan-1-ol
CAS Number: 98-52-2
PubChem ID: 7391
InChiKey: CCOQPGVQAWPUPE-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1CCC(CC1)O

Structural Properties:

Molecular Formula: C₁₀H₂₀O
Molecular Weight: 156.269

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 11

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Tollefsen KE, Eikvar S, Finne EF, Fogelberg O, Gregersen IK. 2008. Estrogenicity of alkylphenols and alkylated non-phenolics in a rainbow trout (Oncorhynchus mykiss) primary hepatocyte culture. Ecotoxicol Environ Saf 71(2):370-383. DOI: 10.1016/j.ecoenv.2007.10.006. URL: https://www.sciencedirect.com/science/article/pii/S0147651307002400?via%3Dihub.