2-sec-Butylphenol
TL;DR: 2-sec-Butylphenol (CAS 89-72-5) 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.
2-butan-2-ylphenol
Also Known As: 2-sec-Butylphenol, o-sec-Butylphenol, 2-(butan-2-yl)phenol, 2-(2-Butyl)phenol, 2-butan-2-ylphenol
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
| Melting Point | 12.2 °C |
| Boiling Point | 439 to 227.8 °C at 760 mmHg |
| Density | 0.981 at 25.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 112.2 °C |
| Vapor Pressure | Low |
| Refractive Index | = 1.5182 @ 21 °C |
Chemical Identifiers
| CAS Number | 89-72-5 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1O |
| InChIKey | NGFPWHGISWUQOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-sec-Butylphenol (CAS 89-72-5), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 2-butan-2-ylphenol.
Chemical Property Profile of 2-sec-Butylphenol
Property Insights of 2-sec-Butylphenol
The XLogP value of 3.4 indicates that 2-sec-Butylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-sec-Butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-sec-Butylphenol 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 2-sec-Butylphenol?
The CAS number of 2-sec-Butylphenol is 89-72-5.
What is the molecular formula of 2-sec-Butylphenol?
The molecular formula of 2-sec-Butylphenol is C10H14O.
What is the molecular weight of 2-sec-Butylphenol?
The molecular weight of 2-sec-Butylphenol is 150.10 g/mol.
Where can I buy 2-sec-Butylphenol?
You can request a quote for 2-sec-Butylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-sec-Butylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-sec-Butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.