4-Methylphenyl acetate
TL;DR: 4-Methylphenyl acetate (CAS 140-39-6) 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.
(4-methylphenyl) acetate
Also Known As: p-Tolyl acetate, p-Cresyl acetate, Narceol, p-Acetoxytoluene, 4-Tolyl acetate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.06808 g/mol |
| XLogP | 2.1 |
| 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 |
| Boiling Point | 208.00 to 212.00 °C. @ 760.00 mm Hg |
| Density | 1.044-1.052 |
| Vapor Pressure | 0.16 [mmHg] |
| Refractive Index | 1.499-1.503 |
| Solubility | slightly soluble in water; soluble in oils |
| SMILES | CC1=CC=C(C=C1)OC(=O)C |
| InChIKey | CDJJKTLOZJAGIZ-UHFFFAOYSA-N |
Product Description
Applications: 4-Methylphenyl acetate is used in pharmaceutical synthesis routes and API production, 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).
4-Methylphenyl acetate (CAS 140-39-6) is a pharmaceutical intermediate with the molecular formula C9H10O2 and a molecular weight of 150.07 g/mol. Key physical properties include a density of 1.044-1.052 g/cm³, a solubility: slightly soluble in water; soluble in oils. Synonyms include p-Tolyl acetate and p-Cresyl acetate.
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 4-Methylphenyl acetate
Property Insights of 4-Methylphenyl acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl 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 4-Methylphenyl acetate?
The CAS number of 4-Methylphenyl acetate is 140-39-6.
What is the molecular formula of 4-Methylphenyl acetate?
The molecular formula of 4-Methylphenyl acetate is C9H10O2.
What is the molecular weight of 4-Methylphenyl acetate?
The molecular weight of 4-Methylphenyl acetate is 150.06808 g/mol.
What are the applications of 4-Methylphenyl acetate?
4-Methylphenyl acetate is used in pharmaceutical synthesis routes and API production, 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 4-Methylphenyl acetate?
You can request a quote for 4-Methylphenyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylphenyl acetate?
Yes, CoreyChem provides custom synthesis services for 4-Methylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.