8-氢过氧化对薄荷烷
TL;DR: 8-氢过氧化对薄荷烷 (CAS 80-47-7) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-氢过氧化对薄荷烷
1-(2-hydroperoxypropan-2-yl)-4-methylcyclohexane
Also Known As: p-Menthane hydroperoxide, Permentha H, Trigonox NT, p-Menthane-8-hydroperoxide, Menthane hydroperoxide, p-
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 135.0 |
| Density | 0.910 to 0.925 at 15.5 °C |
| Solubility | less than 0.1 mg/mL at 63 °F (NTP, 1992) |
| Flash Point | 52.8 °C |
Chemical Identifiers
| CAS Number | 80-47-7 |
|---|---|
| SMILES | CC1CCC(CC1)C(C)(C)OO |
| InChIKey | XSZYESUNPWGWFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-氢过氧化对薄荷烷 (CAS 80-47-7), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 1-(2-hydroperoxypropan-2-yl)-4-methylcyclohexane.
Chemical Property Profile of 8-氢过氧化对薄荷烷
Property Insights of 8-氢过氧化对薄荷烷
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-氢过氧化对薄荷烷. With a topological polar surface area (TPSA) of 29.5 Ų, 8-氢过氧化对薄荷烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-氢过氧化对薄荷烷 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 8-氢过氧化对薄荷烷?
The CAS number of 8-氢过氧化对薄荷烷 is 80-47-7.
What is the molecular formula of 8-氢过氧化对薄荷烷?
The molecular formula of 8-氢过氧化对薄荷烷 is C10H20O2.
What is the molecular weight of 8-氢过氧化对薄荷烷?
The molecular weight of 8-氢过氧化对薄荷烷 is 172.15 g/mol.
Where can I buy 8-氢过氧化对薄荷烷?
You can request a quote for 8-氢过氧化对薄荷烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-氢过氧化对薄荷烷?
Yes, KEHONG BIO provides custom synthesis services for 8-氢过氧化对薄荷烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.