CAS RN: 529-20-4
o-Tolualdehyde
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251112 | 100g | In stock | Shandong, Guangdong, Hebei | Inquiry |
| Batchno.20260417 | 1g | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20251016 | 25g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
| Batchno.20250429 | 500g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20260418 | 5g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: SSC-160042
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, 10g, 25g, 100g, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 6
- 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% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 500g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 1000g | ≥98% | 1 In Stock | Shanghai | Inquiry |
529-20-4 / 2-methylbenzaldehyde
Basic Information
CAS
529-20-4
Multi CAS
Yes
Molecular Formula
C8H8O
Molecular Weight
120.150000
Exact Mass
120.057515
InChI
InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
InChIKey
BTFQKIATRPGRBS-UHFFFAOYSA-N
Physical Properties
Melting Point
< 25 °C
Boiling Point
392 to 396 °F at 760 mmHg (NTP, 1992)
200 °C
BP: 94 °C at 10 mm Hg
200.00 to 201.00 °C. @ 760.00 mm Hg
Density
1.0386 at 66 °F (NTP, 1992) - Denser than water; will sink
1.0328 g/cu cm at 20 °C
Physical Description
O-tolualdehyde is a clear liquid. (NTP, 1992)
Liquid; [Merck Index] Colorless liquid;
Solid
Appearance
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.57
TPSA
17.07
LogP / Solubility
WLOGP
1.81
MLOGP
1.58
XLogP3
2.1
Consensus LogP
1.83
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.17
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
