CAS RN: 66522-78-9
CYCLOHEXANOL-D12
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: starshine_CAS66522-78-9
- Purity/Analytical Methods: >99.0%
66522-78-9 / cyclohexanol
Basic Information
CAS
66522-78-9
Multi CAS
Yes
Molecular Formula
C6H12O
Molecular Weight
100.160000
Exact Mass
100.088815
InChI
InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKey
HPXRVTGHNJAIIH-UHFFFAOYSA-N
Physical Properties
Melting Point
73 °F (NTP, 1992)
25.93 °C
23 °C
77 °F
Boiling Point
322 °F at 760 mmHg (NTP, 1992)
161.84 °C
161 °C
322 °F
Density
0.947 at 68 °F (USCG, 1999) - Less dense than water; will float
0.9624 at 20 °C/4 °C
Percent in "saturated" air: 0.33 (30 °C); density of "saturated" air: 1.01 (air = 1)
Relative density (water = 1): 0.96
0.96
Physical Description
Cyclohexanol appears as a colorless liquid with a camphor-like odor. Soluble in most organic liquids. Flash point 154 °F. May be toxic by inhalation or skin exposure. Vapors are narcotic in high concentrations. Irritates skin, eyes and mucus membranes. Used in making soap, lacquers, and plastics.
Other Solid; Liquid
Sticky solid or colorless to light-yellow liquid (above 77 degrees F) with a camphor-like odor; [NIOSH]
COLOURLESS HYGROSCOPIC LIQUID OR WHITE CRYSTALS WITH CHARACTERISTIC ODOUR.
Sticky solid or colorless to light-yellow liquid (above 77 °F) with a camphor-like odor.
Appearance
Colorless needles or viscous liquid
Hygroscopic crystals
Sticky solid or colorless to light-yellow liquid (above 77 degrees F)
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.09
TPSA
20.23
LogP / Solubility
WLOGP
1.31
MLOGP
1.14
XLogP3
1.2
Consensus LogP
1.22
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Propacetamol hydrochloride
- CAS RN: 66532-86-3
- Product Code: starshine_CAS66532-86-3
- Purity/Analytical method: >99.0%
-
-
Bis[(2-diphenylphosphino)ethyl]ammonium chloride, min. 97%
- CAS RN: 66534-97-2
- Product Code: SSC-176234
-
tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate
- CAS RN: 66543-80-4
- Product Code: starshine_CAS66543-80-4
- Purity/Analytical method: >99.0%
-
-
tert-butyl-methoxy-dimethylsilane
- CAS RN: 66548-21-8
- Product Code: starshine_CAS66548-21-8
- Purity/Analytical method: >99.0%
![CAS 66534-97-2 Bis[(2-diphenylphosphino)ethyl]ammonium chloride, min. 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/66534-97-2.gif)
