2-甲基苯甲醛
TL;DR: 2-甲基苯甲醛 (CAS 529-20-4) 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.
2-甲基苯甲醛
2-methylbenzaldehyde
Also Known As: 2-Methylbenzaldehyde, O-TOLUALDEHYDE, 2-Tolualdehyde, o-Tolylaldehyde, 2-Formyltoluene
| Molecular Formula | C8H8O |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 2.1 |
| 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 | 392 to 202.2 °C at 760 mmHg |
| Density | 1.0386 at 18.9 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 67.2 °C |
| Vapor Pressure | 1 mmHg at 60.0 °C ; 8.0 mmHg at 72.8 °C; 26.0 mmHg at 97.2 °C |
| Refractive Index | 1.5423 at 19 °C/alpha; 1.5650 at 19 °C/beta; 1.5798 at 19 °C/gamma |
Chemical Identifiers
| CAS Number | 529-20-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C=O |
| InChIKey | BTFQKIATRPGRBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基苯甲醛 (CAS 529-20-4), with molecular formula C8H8O and molecular weight 120.06 g/mol. IUPAC: 2-methylbenzaldehyde.
Chemical Property Profile of 2-甲基苯甲醛
Property Insights of 2-甲基苯甲醛
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基苯甲醛. With a topological polar surface area (TPSA) of 17.1 Ų, 2-甲基苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基苯甲醛 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 2-甲基苯甲醛?
The CAS number of 2-甲基苯甲醛 is 529-20-4.
What is the molecular formula of 2-甲基苯甲醛?
The molecular formula of 2-甲基苯甲醛 is C8H8O.
What is the molecular weight of 2-甲基苯甲醛?
The molecular weight of 2-甲基苯甲醛 is 120.06 g/mol.
Where can I buy 2-甲基苯甲醛?
You can request a quote for 2-甲基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.