tert-Butyl hydroperoxide
TL;DR: tert-Butyl hydroperoxide (CAS 75-91-2) is a chemical compound with molecular formula C4H10O2 and molecular weight 90.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroperoxy-2-methylpropane
Also Known As: TERT-BUTYL HYDROPEROXIDE, TBHP, T-Butyl hydroperoxide, Perbutyl H, tert-Butylhydroperoxide
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H10O2 |
| Molecular Weight | 90.06808 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 90.06808 Da |
| Heavy Atoms | 6 |
| Complexity | 35.0 |
| Melting Point | 18 °F (NTP, 1992) |
| Boiling Point | 192 °F at 760 mmHg (decomposes); 104 °F at 23 mmHg (NTP, 1992) |
| Density | 0.88 at 77 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 80 °F (NTP, 1992) |
| Vapor Pressure | 5.46 [mmHg] |
| Refractive Index | Index of refraction = 1.4015 at 20 °C/D |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CC(C)(C)OO |
| InChIKey | CIHOLLKRGTVIJN-UHFFFAOYSA-N |
Product Description
Applications: tert-Butyl hydroperoxide is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as an oxidizing agent in synthetic sequences. CoreyChem supplies tert-Butyl hydroperoxide (CAS 75-91-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
tert-Butyl hydroperoxide is a polymer intermediate identified by CAS number 75-91-2 and the molecular formula C4H10O2 and a molecular weight of 90.07 g/mol. Physically, the compound has a density of 0.88 at 77 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: greater than or equal to 100 mg/mL at 72 °F (NTP, 1992). It is also known as TERT-BUTYL HYDROPEROXIDE and TBHP.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of tert-Butyl hydroperoxide
Property Insights of tert-Butyl hydroperoxide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl hydroperoxide. With a topological polar surface area (TPSA) of 29.5 Ų, tert-Butyl hydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl hydroperoxide 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
What is the CAS number of tert-Butyl hydroperoxide?
The CAS number of tert-Butyl hydroperoxide is 75-91-2.
What is the molecular formula of tert-Butyl hydroperoxide?
The molecular formula of tert-Butyl hydroperoxide is C4H10O2.
What is the molecular weight of tert-Butyl hydroperoxide?
The molecular weight of tert-Butyl hydroperoxide is 90.06808 g/mol.
What are the applications of tert-Butyl hydroperoxide?
tert-Butyl hydroperoxide is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as an oxidizing agent in synthetic sequences. CoreyChem supplies tert-Butyl hydroperoxide (CAS...
Where can I buy tert-Butyl hydroperoxide?
You can request a quote for tert-Butyl hydroperoxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl hydroperoxide?
Yes, CoreyChem provides custom synthesis services for tert-Butyl hydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.