Benzoic acid, 3-methyl-, methyl ester
TL;DR: Benzoic acid, 3-methyl-, methyl ester (CAS 99-36-5) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-methylbenzoate
Also Known As: Methyl 3-methylbenzoate, METHYL M-TOLUATE, Methyl 3-toluate, Methyl m-methylbenzoate, isobutylstearate
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.06808 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.06808 Da |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
| Vapor Pressure | 0.16 [mmHg] |
| SMILES | CC1=CC(=CC=C1)C(=O)OC |
| InChIKey | CPXCDEMFNPKOEF-UHFFFAOYSA-N |
Product Description
Applications: Benzoic acid, 3-methyl-, methyl ester is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
Benzoic acid, 3-methyl-, methyl ester is a polymer intermediate identified by CAS number 99-36-5 and the molecular formula C9H10O2 and a molecular weight of 150.07 g/mol. Synonyms include Methyl 3-methylbenzoate and METHYL M-TOLUATE.
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 Benzoic acid, 3-methyl-, methyl ester
Property Insights of Benzoic acid, 3-methyl-, methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-methyl-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 3-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-methyl-, methyl ester 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 Benzoic acid, 3-methyl-, methyl ester?
The CAS number of Benzoic acid, 3-methyl-, methyl ester is 99-36-5.
What is the molecular formula of Benzoic acid, 3-methyl-, methyl ester?
The molecular formula of Benzoic acid, 3-methyl-, methyl ester is C9H10O2.
What is the molecular weight of Benzoic acid, 3-methyl-, methyl ester?
The molecular weight of Benzoic acid, 3-methyl-, methyl ester is 150.06808 g/mol.
What are the applications of Benzoic acid, 3-methyl-, methyl ester?
Benzoic acid, 3-methyl-, methyl ester is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy Benzoic acid, 3-methyl-, methyl ester?
You can request a quote for Benzoic acid, 3-methyl-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3-methyl-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.