Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 10g, 5g, 25g, 1g, 100g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | >97% | 3 In Stock | Shanghai | Inquiry |
| 5g | >97% | 2 In Stock | Shanghai | Inquiry |
| 25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
536-50-5 / 1-(4-methylphenyl)ethanol
Basic Information
CAS
536-50-5
Multi CAS
Yes
Molecular Formula
C9H12O
Molecular Weight
136.190000
Exact Mass
136.088815
InChI
InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3
InChIKey
JESIHYIJKKUWIS-UHFFFAOYSA-N
Physical Properties
Density
0.980-0.990
Physical Description
Viscous liquid with an odor similar to menthol; [Merck Index] Clear colorless liquid;
colourless oily liquid with a dry, menthol-like, camphoraceous odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.81
TPSA
20.23
LogP / Solubility
WLOGP
2.05
MLOGP
1.79
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
