CAS RN: 644-36-0
o-Tolylacetic Acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260505 | 5g / 25g / 100g / 500g / 2.5kg / 10kg | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-174171
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: 5g, 25g, 100g, 1000g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 4 In Stock | Beijing | Inquiry |
| 25g | -- | 1 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
644-36-0 / (2-methylphenyl) acetate
Basic Information
CAS
644-36-0
Multi CAS
Yes
Molecular Formula
C9H10O2
Molecular Weight
150.170000
Exact Mass
150.068080
InChI
InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
InChIKey
AMZORBZSQRUXNC-UHFFFAOYSA-N
Physical Properties
Boiling Point
208.00 °C. @ 760.00 mm Hg
Density
1.046-1.053
Physical Description
Colourless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.49
TPSA
26.3
LogP / Solubility
WLOGP
1.92
MLOGP
1.68
XLogP3
1.6
Consensus LogP
1.73
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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