Butylated Hydroxyanisole
TL;DR: Butylated Hydroxyanisole (CAS 121-00-6) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-methoxyphenol
Also Known As: 2-tert-Butyl-4-methoxyphenol, 3-tert-Butyl-4-hydroxyanisole, BUTYLATED HYDROXYANISOLE, 2-(tert-butyl)-4-methoxyphenol, Butylhydroxyanisole
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
| Melting Point | 118 to 55.0 °C |
| Boiling Point | 507 to 270.0 °C at 733 mmHg |
| Solubility | less than 1 mg/mL at 65.3 °F (NTP, 1992) |
| Flash Point | 156.1 °C |
| Vapor Pressure | 0.00248 [mmHg] |
Chemical Identifiers
| CAS Number | 121-00-6 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=CC(=C1)OC)O |
| InChIKey | MRBKEAMVRSLQPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butylated Hydroxyanisole (CAS 121-00-6), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 2-tert-butyl-4-methoxyphenol.
Chemical Property Profile of Butylated Hydroxyanisole
Property Insights of Butylated Hydroxyanisole
The XLogP value of 3.2 indicates that Butylated Hydroxyanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Butylated Hydroxyanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylated Hydroxyanisole has 1 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 Butylated Hydroxyanisole?
The CAS number of Butylated Hydroxyanisole is 121-00-6.
What is the molecular formula of Butylated Hydroxyanisole?
The molecular formula of Butylated Hydroxyanisole is C11H16O2.
What is the molecular weight of Butylated Hydroxyanisole?
The molecular weight of Butylated Hydroxyanisole is 180.12 g/mol.
Where can I buy Butylated Hydroxyanisole?
You can request a quote for Butylated Hydroxyanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylated Hydroxyanisole?
Yes, KEHONG BIO provides custom synthesis services for Butylated Hydroxyanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.