CAS RN: 487-68-3
2,4,6-Trimethylbenzaldehyde
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.20250101 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250320 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260322 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20250523 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260129 | 500g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-155371
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: ≥97%
- Inventory rows with stock: 4
- 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 | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 100g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
487-68-3 / 2,4,6-trimethylbenzaldehyde
Basic Information
CAS
487-68-3
Multi CAS
Yes
Molecular Formula
C10H12O
Molecular Weight
148.200000
Exact Mass
148.088815
InChI
InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
InChIKey
HIKRJHFHGKZKRI-UHFFFAOYSA-N
Physical Properties
Melting Point
14 °C
Boiling Point
238.50 °C. @ 760.00 mm Hg
Physical Description
Clear light yellow liquid; mp = 10-12 deg C;
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.04
TPSA
17.07
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
2.5
Consensus LogP
2.35
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-1.9
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
