3-Methylbenzaldehyde
TL;DR: 3-Methylbenzaldehyde (CAS 620-23-5) is a chemical compound with molecular formula C8H8O and molecular weight 120.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbenzaldehyde
Also Known As: 3-Methylbenzaldehyde, M-TOLUALDEHYDE, 3-tolualdehyde, m-Methylbenzaldehyde, Benzaldehyde, 3-methyl-
| Molecular Formula | C8H8O |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.05752 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
| Melting Point | < 25 °C |
| Boiling Point | 199 °C |
| Density | 1.0189 g/cu cm at 21 °C |
| Solubility | Miscible with ethanol, ethyl ether; very soluble in acetone; soluble in benzene, chloroform |
| Refractive Index | 1.5413 at 21 °C |
Chemical Identifiers
| CAS Number | 620-23-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C=O |
| InChIKey | OVWYEQOVUDKZNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbenzaldehyde (CAS 620-23-5), with molecular formula C8H8O and molecular weight 120.06 g/mol. IUPAC: 3-methylbenzaldehyde.
Chemical Property Profile of 3-Methylbenzaldehyde
Property Insights of 3-Methylbenzaldehyde
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methylbenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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
Frequently Asked Questions
What is the CAS number of 3-Methylbenzaldehyde?
The CAS number of 3-Methylbenzaldehyde is 620-23-5.
What is the molecular formula of 3-Methylbenzaldehyde?
The molecular formula of 3-Methylbenzaldehyde is C8H8O.
What is the molecular weight of 3-Methylbenzaldehyde?
The molecular weight of 3-Methylbenzaldehyde is 120.06 g/mol.
Where can I buy 3-Methylbenzaldehyde?
You can request a quote for 3-Methylbenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.