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4-tert-Butylcyclohexanol chemistry Cyclohexanol, 4-(1,1-dimethylethyl)-
1. Product advantages
♦ High purity, all above 98.5%, no impurities after dissolution
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Density 0.9± 0.1g /cm3
Boiling point 214.2±0.0 °C at 760 mmHg
Melting point 62-70 °C(lit.)
Molecular formula C10H20O
Molecular weight 156.265
Flash point 105.0±0.0 °C
Accurate mass 156.151413
PSA 20.23000
LogP 3.06
Appearance properties white powder
Vapor pressure 0.0±0.9 mmHg at 25°C
Refractive index 1.471
Storage condition
Store in a cool, ventilated place away from light.
stability
White acicular or powdery crystal. It has a woodlike patchouli aroma.
Water solubility <1 g/L (20 ºC)
Molecular structure
Molecular property data:
1. Molar refractive index: 47.45
2. Molar volume (cm3/mol) : 169.6
3. Isotropic volume (90.2K) : 410.1
4. Surface tension (dyne/cm) : 34.1
5. Dielectric constant:
6. Dipole distance (10-24cm3) :
7. Polarization: 18.81
Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None
2. Number of hydrogen bond donors :1
3. Number of hydrogen bond receptors :1
4. Number of rotatable bonds :1
5. Number of tautomers: None
6. Topological molecular polar surface area 20.2
7. Number of heavy atoms :11
8. Surface charge :0
9. Complexity :115
10. Number of isotope atoms :0
11. Determine the number of primary constitutive centers :0
12. Number of indeterminate atomic orthotropic centers :0
13. Determine the number of chemical bond constitutive centers :0
14. Number of uncertain bond constitutive centers :0
15. Number of covalent bond units :1
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