m-Methylbenzyl acetate
TL;DR: m-Methylbenzyl acetate (CAS 17369-57-2) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methylphenyl)methyl acetate
Also Known As: m-Methylbenzyl acetate, 3-methylbenzyl acetate, (3-methylphenyl)methyl acetate, meta-methyl benzyl acetate, Benzenemethanol, 3-methyl-, acetate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
| Melting Point | 226 °C |
| Boiling Point | 221.00 to 223.00 °C. @ 760.00 mm Hg |
| SMILES | CC1=CC(=CC=C1)COC(=O)C |
| InChIKey | QPTQLFCBVFKFLY-UHFFFAOYSA-N |
Chemical Property Profile of m-Methylbenzyl acetate
Property Insights of m-Methylbenzyl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Methylbenzyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, m-Methylbenzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Methylbenzyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of m-Methylbenzyl acetate?
The CAS number of m-Methylbenzyl acetate is 17369-57-2.
What is the molecular formula of m-Methylbenzyl acetate?
The molecular formula of m-Methylbenzyl acetate is C10H12O2.
What is the molecular weight of m-Methylbenzyl acetate?
The molecular weight of m-Methylbenzyl acetate is 164.08372 g/mol.
Where can I buy m-Methylbenzyl acetate?
You can request a quote for m-Methylbenzyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for m-Methylbenzyl acetate?
Yes, CoreyChem provides custom synthesis services for m-Methylbenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.