4-甲基苄醇
TL;DR: 4-甲基苄醇 (CAS 589-18-4) is a chemical compound with molecular formula C8H10O and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基苄醇
(4-methylphenyl)methanol
Also Known As: 4-Methylbenzyl alcohol, p-Tolylmethanol, p-Tolylcarbinol, 4-Tolylcarbinol, (4-Methylphenyl)methanol
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
| Melting Point | 138 to 61.1 °C |
| Boiling Point | 217.2 °C at 760 mmHg |
| Density | 0.978 at 22.2 °C - Less dense than water; will float |
| Solubility | 1 to 10 mg/mL at 70.7 °F (NTP, 1992) |
| Vapor Pressure | 0.01 [mmHg] |
Chemical Identifiers
| CAS Number | 589-18-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CO |
| InChIKey | KMTDMTZBNYGUNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基苄醇 (CAS 589-18-4), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: (4-methylphenyl)methanol.
Chemical Property Profile of 4-甲基苄醇
Property Insights of 4-甲基苄醇
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基苄醇. With a topological polar surface area (TPSA) of 20.2 Ų, 4-甲基苄醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基苄醇 has 1 hydrogen bond donor(s) and 1 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-甲基苄醇?
The CAS number of 4-甲基苄醇 is 589-18-4.
What is the molecular formula of 4-甲基苄醇?
The molecular formula of 4-甲基苄醇 is C8H10O.
What is the molecular weight of 4-甲基苄醇?
The molecular weight of 4-甲基苄醇 is 122.07 g/mol.
Where can I buy 4-甲基苄醇?
You can request a quote for 4-甲基苄醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基苄醇?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.