4-Methylphenyl acetate
TL;DR: 4-Methylphenyl acetate (CAS 140-39-6) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) acetate
Also Known As: p-Tolyl acetate, p-Cresyl acetate, Narceol, p-Acetoxytoluene, 4-Tolyl acetate
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
| Boiling Point | 208.00 to 212.00 °C. @ 760.00 mm Hg |
| Density | 1.044-1.052 |
| Solubility | slightly soluble in water; soluble in oils |
| Vapor Pressure | 0.16 [mmHg] |
| Refractive Index | 1.499-1.503 |
Chemical Identifiers
| CAS Number | 140-39-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C |
| InChIKey | CDJJKTLOZJAGIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylphenyl acetate (CAS 140-39-6), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: (4-methylphenyl) acetate.
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
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 150.07 g/mol.
Where can I buy 4-Methylphenyl acetate?
You can request a quote for 4-Methylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.