1-叔丁氧基-2-丙醇
TL;DR: 1-叔丁氧基-2-丙醇 (CAS 57018-52-7) is a chemical compound with molecular formula C7H16O2 and molecular weight 132.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-叔丁氧基-2-丙醇
1-[(2-methylpropan-2-yl)oxy]propan-2-ol
Also Known As: 1-tert-butoxy-2-propanol, tert-Butoxypropanol, 1-tert-Butoxypropan-2-ol, Arcosolv PTB, 1-(tert-butoxy)propan-2-ol
| Molecular Formula | C7H16O2 |
|---|---|
| Molecular Weight | 132.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.11504 |
| Heavy Atoms | 9 |
| Complexity | 73.0 |
| Boiling Point | 151.1 °C at 760 mmHg |
| Density | 0.87 - Less dense than water; will float |
| Solubility | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 44.4 °C |
| Vapor Pressure | 4.8 mmHg at 20.0 °C |
| Refractive Index | = 1.4116 at 20 °C |
Chemical Identifiers
| CAS Number | 57018-52-7 |
|---|---|
| SMILES | CC(COC(C)(C)C)O |
| InChIKey | GQCZPFJGIXHZMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-叔丁氧基-2-丙醇 (CAS 57018-52-7), with molecular formula C7H16O2 and molecular weight 132.12 g/mol. IUPAC: 1-[(2-methylpropan-2-yl)oxy]propan-2-ol.
Chemical Property Profile of 1-叔丁氧基-2-丙醇
Property Insights of 1-叔丁氧基-2-丙醇
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-叔丁氧基-2-丙醇. With a topological polar surface area (TPSA) of 29.5 Ų, 1-叔丁氧基-2-丙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-叔丁氧基-2-丙醇 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 1-叔丁氧基-2-丙醇?
The CAS number of 1-叔丁氧基-2-丙醇 is 57018-52-7.
What is the molecular formula of 1-叔丁氧基-2-丙醇?
The molecular formula of 1-叔丁氧基-2-丙醇 is C7H16O2.
What is the molecular weight of 1-叔丁氧基-2-丙醇?
The molecular weight of 1-叔丁氧基-2-丙醇 is 132.12 g/mol.
Where can I buy 1-叔丁氧基-2-丙醇?
You can request a quote for 1-叔丁氧基-2-丙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-叔丁氧基-2-丙醇?
Yes, KEHONG BIO provides custom synthesis services for 1-叔丁氧基-2-丙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.