tert-Butyl peroxy-2-ethylhexanoate
TL;DR: tert-Butyl peroxy-2-ethylhexanoate (CAS 3006-82-4) is a chemical compound with molecular formula C12H24O3 and molecular weight 216.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-ethylhexaneperoxoate
Also Known As: tert-butyl 2-ethylhexaneperoxoate, Trigonox 21, t-Butyl peroctoate, INTEROX TBPEH, Esperox 28
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 3006-82-4 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OOC(C)(C)C |
| InChIKey | WYKYCHHWIJXDAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl peroxy-2-ethylhexanoate (CAS 3006-82-4), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: tert-butyl 2-ethylhexaneperoxoate.
Chemical Property Profile of tert-Butyl peroxy-2-ethylhexanoate
Property Insights of tert-Butyl peroxy-2-ethylhexanoate
The XLogP value of 4.0 indicates that tert-Butyl peroxy-2-ethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, tert-Butyl peroxy-2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl peroxy-2-ethylhexanoate has 0 hydrogen bond donor(s) and 3 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 tert-Butyl peroxy-2-ethylhexanoate?
The CAS number of tert-Butyl peroxy-2-ethylhexanoate is 3006-82-4.
What is the molecular formula of tert-Butyl peroxy-2-ethylhexanoate?
The molecular formula of tert-Butyl peroxy-2-ethylhexanoate is C12H24O3.
What is the molecular weight of tert-Butyl peroxy-2-ethylhexanoate?
The molecular weight of tert-Butyl peroxy-2-ethylhexanoate is 216.17 g/mol.
Where can I buy tert-Butyl peroxy-2-ethylhexanoate?
You can request a quote for tert-Butyl peroxy-2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl peroxy-2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl peroxy-2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.