过氧化氢异丙苯
TL;DR: 过氧化氢异丙苯 (CAS 80-15-9) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
过氧化氢异丙苯
2-hydroperoxypropan-2-ylbenzene
Also Known As: CUMENE HYDROPEROXIDE, Cumyl hydroperoxide, Cumolhydroperoxid, Cumenyl hydroperoxide, Cumolhydroperoxide
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.08372 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
| Melting Point | less than -40.0 °C |
| Boiling Point | Decomposes at 127.2 °C |
| Density | 1.03 at 25.0 °C |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | 57.2 °C |
| Vapor Pressure | 0.6 mmHg at 20.0 °C (for 80-85% by weight) |
| Refractive Index | 1.5242 at 20 °C |
Chemical Identifiers
| CAS Number | 80-15-9 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)OO |
| InChIKey | YQHLDYVWEZKEOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
过氧化氢异丙苯 (CAS 80-15-9), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: 2-hydroperoxypropan-2-ylbenzene.
Chemical Property Profile of 过氧化氢异丙苯
Property Insights of 过氧化氢异丙苯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 过氧化氢异丙苯. With a topological polar surface area (TPSA) of 29.5 Ų, 过氧化氢异丙苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 过氧化氢异丙苯 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 过氧化氢异丙苯?
The CAS number of 过氧化氢异丙苯 is 80-15-9.
What is the molecular formula of 过氧化氢异丙苯?
The molecular formula of 过氧化氢异丙苯 is C9H12O2.
What is the molecular weight of 过氧化氢异丙苯?
The molecular weight of 过氧化氢异丙苯 is 152.08 g/mol.
Where can I buy 过氧化氢异丙苯?
You can request a quote for 过氧化氢异丙苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 过氧化氢异丙苯?
Yes, KEHONG BIO provides custom synthesis services for 过氧化氢异丙苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.