百里酚
TL;DR: 百里酚 (CAS 89-83-8) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
百里酚
5-methyl-2-propan-2-ylphenol
Also Known As: THYMOL, Thyme camphor, 2-Isopropyl-5-methylphenol, m-Thymol, 3-p-Cymenol
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 120.0 |
| Melting Point | 51.5 |
| Boiling Point | 232.5 |
| Density | 0.9699 g/cu cm at 25 °C |
| Solubility | 900 |
| Flash Point | 110 °C (110.0 °C) (Closed cup) |
| Vapor Pressure | 0.0022 [mmHg] |
| Refractive Index | 0.9699 at 25 °C/4 degC; 1.5227 at 20 °C; 1.5204 at 25 °C |
| GHS Signal | Danger |
| H-Statements | H302, H314, H411 |
Chemical Identifiers
| CAS Number | 89-83-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)O |
| InChIKey | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
百里酚 (CAS 89-83-8), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 5-methyl-2-propan-2-ylphenol.
Chemical Property Profile of 百里酚
Property Insights of 百里酚
The XLogP value of 3.3 indicates that 百里酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 百里酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 百里酚 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 百里酚?
The CAS number of 百里酚 is 89-83-8.
What is the molecular formula of 百里酚?
The molecular formula of 百里酚 is C10H14O.
What is the molecular weight of 百里酚?
The molecular weight of 百里酚 is 150.10 g/mol.
Where can I buy 百里酚?
You can request a quote for 百里酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 百里酚?
Yes, KEHONG BIO provides custom synthesis services for 百里酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.