Benzenemethanol, 4-methyl-, 1-acetate
TL;DR: Benzenemethanol, 4-methyl-, 1-acetate (CAS 2216-45-7) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)methyl acetate
Also Known As: 4-Methylbenzyl acetate, p-Methylbenzyl acetate, p-Xylyl acetate, p-Tolubenzyl acetate, p-Acetoxymethyltoluene
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
| Boiling Point | 224.00 to 225.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 2216-45-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC(=O)C |
| InChIKey | WDCUPFMSLUIQBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanol, 4-methyl-, 1-acetate (CAS 2216-45-7), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: (4-methylphenyl)methyl acetate.
Chemical Property Profile of Benzenemethanol, 4-methyl-, 1-acetate
Property Insights of Benzenemethanol, 4-methyl-, 1-acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, 4-methyl-, 1-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzenemethanol, 4-methyl-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanol, 4-methyl-, 1-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 Benzenemethanol, 4-methyl-, 1-acetate?
The CAS number of Benzenemethanol, 4-methyl-, 1-acetate is 2216-45-7.
What is the molecular formula of Benzenemethanol, 4-methyl-, 1-acetate?
The molecular formula of Benzenemethanol, 4-methyl-, 1-acetate is C10H12O2.
What is the molecular weight of Benzenemethanol, 4-methyl-, 1-acetate?
The molecular weight of Benzenemethanol, 4-methyl-, 1-acetate is 164.08 g/mol.
Where can I buy Benzenemethanol, 4-methyl-, 1-acetate?
You can request a quote for Benzenemethanol, 4-methyl-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, 4-methyl-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, 4-methyl-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.