(2,6-Ditert-butyl-4-methylphenyl) acetate
TL;DR: (2,6-Ditert-butyl-4-methylphenyl) acetate (CAS 29311-34-0) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-ditert-butyl-4-methylphenyl) acetate
Also Known As: Ionol 1 acetate, (2,6-ditert-butyl-4-methylphenyl) acetate, 2,6-di-tert-butyl-4-methylphenyl acetate, 2,6-di-t-butyl-4-methylphenol acetate, 2,6-Ditert-butyl-4-methylphenyl acetate
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.19327 |
| Heavy Atoms | 19 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 29311-34-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C)C(C)(C)C |
| InChIKey | UKFBLLARZMZOGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,6-Ditert-butyl-4-methylphenyl) acetate (CAS 29311-34-0), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: (2,6-ditert-butyl-4-methylphenyl) acetate.
Chemical Property Profile of (2,6-Ditert-butyl-4-methylphenyl) acetate
Property Insights of (2,6-Ditert-butyl-4-methylphenyl) acetate
The XLogP value of 5.4 indicates that (2,6-Ditert-butyl-4-methylphenyl) acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2,6-Ditert-butyl-4-methylphenyl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,6-Ditert-butyl-4-methylphenyl) acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,6-Ditert-butyl-4-methylphenyl) acetate?
The CAS number of (2,6-Ditert-butyl-4-methylphenyl) acetate is 29311-34-0.
What is the molecular formula of (2,6-Ditert-butyl-4-methylphenyl) acetate?
The molecular formula of (2,6-Ditert-butyl-4-methylphenyl) acetate is C17H26O2.
What is the molecular weight of (2,6-Ditert-butyl-4-methylphenyl) acetate?
The molecular weight of (2,6-Ditert-butyl-4-methylphenyl) acetate is 262.19 g/mol.
Where can I buy (2,6-Ditert-butyl-4-methylphenyl) acetate?
You can request a quote for (2,6-Ditert-butyl-4-methylphenyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-Ditert-butyl-4-methylphenyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Ditert-butyl-4-methylphenyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.