2-Methylbenzaldehyde
TL;DR: 2-Methylbenzaldehyde (CAS 529-20-4) is a chemical compound with molecular formula C8H8O and molecular weight 120.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbenzaldehyde
Also Known As: 2-Methylbenzaldehyde, O-TOLUALDEHYDE, 2-Tolualdehyde, o-Tolylaldehyde, 2-Formyltoluene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O |
| Molecular Weight | 120.05752 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.05752 Da |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
| Melting Point | < 25 °C |
| Boiling Point | 392 to 396 °F at 760 mmHg (NTP, 1992) |
| Density | 1.0386 at 66 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 153 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 140 °F ; 8.0 mmHg at 163 °F; 26.0 mmHg at 207 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5423 at 19 °C/alpha; 1.5650 at 19 °C/beta; 1.5798 at 19 °C/gamma |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CC1=CC=CC=C1C=O |
| InChIKey | BTFQKIATRPGRBS-UHFFFAOYSA-N |
Product Description
Applications: 2-Methylbenzaldehyde 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. CoreyChem supplies 2-Methylbenzaldehyde (CAS 529-20-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Methylbenzaldehyde (CAS 529-20-4) is a heterocyclic building block with the molecular formula C8H8O and a molecular weight of 120.06 g/mol. Key physical properties include a density of 1.0386 at 66 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 68 °F (NTP, 1992). It is also known as 2-Methylbenzaldehyde and O-TOLUALDEHYDE.
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-Methylbenzaldehyde
Property Insights of 2-Methylbenzaldehyde
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbenzaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methylbenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbenzaldehyde 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-Methylbenzaldehyde?
The CAS number of 2-Methylbenzaldehyde is 529-20-4.
What is the molecular formula of 2-Methylbenzaldehyde?
The molecular formula of 2-Methylbenzaldehyde is C8H8O.
What is the molecular weight of 2-Methylbenzaldehyde?
The molecular weight of 2-Methylbenzaldehyde is 120.05752 g/mol.
What are the applications of 2-Methylbenzaldehyde?
2-Methylbenzaldehyde 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. CoreyChem supplies 2-Methylbenzaldehyde (CAS...
Where can I buy 2-Methylbenzaldehyde?
You can request a quote for 2-Methylbenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylbenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 2-Methylbenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.