Methyl 4-methylbenzoate
TL;DR: Methyl 4-methylbenzoate (CAS 99-75-2) 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 4-methylbenzoate
Also Known As: Methyl p-toluate, METHYL 4-METHYLBENZOATE, Methyl-p-toluate, Methyl 4-toluate, p-Carbomethoxytoluene
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.06808 g/mol |
| XLogP | 2.7 |
| 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 | 134.0 |
| Melting Point | 91 °F (NTP, 1992) |
| Boiling Point | 423 °F at 760 mmHg (NTP, 1992) |
| Density | 1.058 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 204 °F (NTP, 1992) |
| Vapor Pressure | 0.16 [mmHg] |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CC1=CC=C(C=C1)C(=O)OC |
| InChIKey | QSSJZLPUHJDYKF-UHFFFAOYSA-N |
Product Description
Applications: Methyl 4-methylbenzoate is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. 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).
A polymer intermediate supplied by CoreyChem, Methyl 4-methylbenzoate (CAS 99-75-2) has the molecular formula C9H10O2 and a molecular weight of 150.07 g/mol. Reported properties include a density of 1.058 at 77 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 72 °F (NTP, 1992). Synonyms include Methyl p-toluate and METHYL 4-METHYLBENZOATE.
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 Methyl 4-methylbenzoate
Property Insights of Methyl 4-methylbenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-methylbenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-methylbenzoate 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 Methyl 4-methylbenzoate?
The CAS number of Methyl 4-methylbenzoate is 99-75-2.
What is the molecular formula of Methyl 4-methylbenzoate?
The molecular formula of Methyl 4-methylbenzoate is C9H10O2.
What is the molecular weight of Methyl 4-methylbenzoate?
The molecular weight of Methyl 4-methylbenzoate is 150.06808 g/mol.
What are the applications of Methyl 4-methylbenzoate?
Methyl 4-methylbenzoate is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Methyl 4-methylbenzoate?
You can request a quote for Methyl 4-methylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-methylbenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.