2,4,6-Trimethylbenzaldehyde
TL;DR: 2,4,6-Trimethylbenzaldehyde (CAS 487-68-3) is a chemical compound with molecular formula C10H12O and molecular weight 148.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-trimethylbenzaldehyde
Also Known As: Mesitaldehyde, 2,4,6-TRIMETHYLBENZALDEHYDE, Mesitylaldehyde, Mesitylenecarboxaldehyde, 2-Formylmesitylene
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O |
| Molecular Weight | 148.08882 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.08882 Da |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
| Melting Point | 14 °C |
| Boiling Point | 238.50 °C. @ 760.00 mm Hg |
| SMILES | CC1=CC(=C(C(=C1)C)C=O)C |
| InChIKey | HIKRJHFHGKZKRI-UHFFFAOYSA-N |
Product Description
Applications: 2,4,6-Trimethylbenzaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2,4,6-Trimethylbenzaldehyde (CAS 487-68-3) is a heterocyclic building block with the molecular formula C10H12O and a molecular weight of 148.09 g/mol. Synonyms include Mesitaldehyde and 2,4,6-TRIMETHYLBENZALDEHYDE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2,4,6-Trimethylbenzaldehyde
Property Insights of 2,4,6-Trimethylbenzaldehyde
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylbenzaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4,6-Trimethylbenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylbenzaldehyde has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4,6-Trimethylbenzaldehyde?
The CAS number of 2,4,6-Trimethylbenzaldehyde is 487-68-3.
What is the molecular formula of 2,4,6-Trimethylbenzaldehyde?
The molecular formula of 2,4,6-Trimethylbenzaldehyde is C10H12O.
What is the molecular weight of 2,4,6-Trimethylbenzaldehyde?
The molecular weight of 2,4,6-Trimethylbenzaldehyde is 148.08882 g/mol.
What are the applications of 2,4,6-Trimethylbenzaldehyde?
2,4,6-Trimethylbenzaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy 2,4,6-Trimethylbenzaldehyde?
You can request a quote for 2,4,6-Trimethylbenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Trimethylbenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Trimethylbenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.