过氧化叔丁醇
TL;DR: 过氧化叔丁醇 (CAS 75-91-2) is a chemical compound with molecular formula C4H10O2 and molecular weight 90.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
过氧化叔丁醇
2-hydroperoxy-2-methylpropane
Also Known As: TERT-BUTYL HYDROPEROXIDE, TBHP, T-Butyl hydroperoxide, Perbutyl H, tert-Butylhydroperoxide
| Molecular Formula | C4H10O2 |
|---|---|
| Molecular Weight | 90.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 90.06808 |
| Heavy Atoms | 6 |
| Complexity | 35.0 |
| Melting Point | -7.8 °C |
| Boiling Point | 88.9 °C at 760 mmHg (decomposes); 40.0 °C at 23 mmHg |
| Density | 0.88 at 25.0 °C - Less dense than water; will float |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 26.7 °C |
| Vapor Pressure | 5.46 [mmHg] |
| Refractive Index | = 1.4015 at 20 °C |
Chemical Identifiers
| CAS Number | 75-91-2 |
|---|---|
| SMILES | CC(C)(C)OO |
| InChIKey | CIHOLLKRGTVIJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
过氧化叔丁醇 (CAS 75-91-2), with molecular formula C4H10O2 and molecular weight 90.07 g/mol. IUPAC: 2-hydroperoxy-2-methylpropane.
Chemical Property Profile of 过氧化叔丁醇
Property Insights of 过氧化叔丁醇
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 过氧化叔丁醇. With a topological polar surface area (TPSA) of 29.5 Ų, 过氧化叔丁醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 过氧化叔丁醇 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 过氧化叔丁醇?
The CAS number of 过氧化叔丁醇 is 75-91-2.
What is the molecular formula of 过氧化叔丁醇?
The molecular formula of 过氧化叔丁醇 is C4H10O2.
What is the molecular weight of 过氧化叔丁醇?
The molecular weight of 过氧化叔丁醇 is 90.07 g/mol.
Where can I buy 过氧化叔丁醇?
You can request a quote for 过氧化叔丁醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 过氧化叔丁醇?
Yes, KEHONG BIO provides custom synthesis services for 过氧化叔丁醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.