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

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
newtab


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.

External Links

iconiconiconiconicon

2D-structure

2d_structure

3D-structure

3d_structure