5-Butyl-o-cresol
TL;DR: 5-Butyl-o-cresol (CAS 94134-86-8) is a chemical compound with molecular formula C11H16O and molecular weight 164.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butyl-2-methylphenol
Also Known As: 5-Butyl-o-cresol, 5-butyl-2-methylphenol, Phenol,5-butyl-2-methyl-, Phenol, 5-butyl-2-methyl-, EINECS 302-856-3
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16O |
| Molecular Weight | 164.12012 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.12012 Da |
| Heavy Atoms | 12 |
| Complexity | 122.0 |
| SMILES | CCCCC1=CC(=C(C=C1)C)O |
| InChIKey | CUYLNCWYFSSEQG-UHFFFAOYSA-N |
Chemical Property Profile of 5-Butyl-o-cresol
Property Insights of 5-Butyl-o-cresol
The XLogP value of 3.8 indicates that 5-Butyl-o-cresol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 5-Butyl-o-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-o-cresol 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
What is the CAS number of 5-Butyl-o-cresol?
The CAS number of 5-Butyl-o-cresol is 94134-86-8.
What is the molecular formula of 5-Butyl-o-cresol?
The molecular formula of 5-Butyl-o-cresol is C11H16O.
What is the molecular weight of 5-Butyl-o-cresol?
The molecular weight of 5-Butyl-o-cresol is 164.12012 g/mol.
Where can I buy 5-Butyl-o-cresol?
You can request a quote for 5-Butyl-o-cresol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Butyl-o-cresol?
Yes, CoreyChem provides custom synthesis services for 5-Butyl-o-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.