CAS RN: 34885-03-5
4-Methyl-1-cyclohexanemethanol (cis- and trans- mixture)
- Product code: SSC-141550
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
34885-03-5 / (4-methylcyclohexyl)methanol
Basic Information
CAS
34885-03-5
Multi CAS
Yes
Molecular Formula
C8H16O
Molecular Weight
128.210000
Exact Mass
128.120115
InChI
InChI=1S/C8H16O/c1-7-2-4-8(6-9)5-3-7/h7-9H,2-6H2,1H3
InChIKey
OSINZLLLLCUKJH-UHFFFAOYSA-N
Physical Properties
Boiling Point
BP: 75 °C at 2.5 mm Hg
Straw colored liquid; slight sweet organic odor. BP: > 10 °C; Specific gravity: 0.9-0.92 at 16 °C. Slightly soluble in water. Viscosity: 19 cPs at 22 °C; 45 cPs at 0 °C /Flottec FX140-04 Frother/
Density
0.9074 g/cu cm at 20 °C
Physical Description
Liquid
Clear colorless liquid with nearly no odor; [HSDB]
Appearance
Clear, colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.21
TPSA
20.23
LogP / Solubility
WLOGP
1.81
MLOGP
1.58
XLogP3
2.2
Consensus LogP
1.86
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately 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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
