Allyl Alcohol
TL;DR: Allyl Alcohol (CAS 107-18-6) is a chemical compound with molecular formula C3H6O and molecular weight 58.041866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-en-1-ol
Also Known As: ALLYL ALCOHOL, 2-Propen-1-ol, Vinylcarbinol, PROP-2-EN-1-OL, Allylic alcohol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6O |
| Molecular Weight | 58.041866 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 58.041866 Da |
| Heavy Atoms | 4 |
| Complexity | 17.0 |
| Melting Point | -200 °F (EPA, 1998) |
| Boiling Point | 206 °F at 760 mmHg (EPA, 1998) |
| Density | 0.854 at 68 °F (EPA, 1998) - Less dense than water; will float |
| Flash Point | 71.6 °F (EPA, 1998) |
| Vapor Pressure | 23.8 mmHg at 77 °F (EPA, 1998) |
| Refractive Index | Index of refraction: 1.41345 at 20 °C/D |
| Solubility | Miscible (NIOSH, 2024) |
| SMILES | C=CCO |
| InChIKey | XXROGKLTLUQVRX-UHFFFAOYSA-N |
Chemical Property Profile of Allyl Alcohol
Property Insights of Allyl Alcohol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl Alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, Allyl Alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl Alcohol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Allyl Alcohol?
The CAS number of Allyl Alcohol is 107-18-6.
What is the molecular formula of Allyl Alcohol?
The molecular formula of Allyl Alcohol is C3H6O.
What is the molecular weight of Allyl Alcohol?
The molecular weight of Allyl Alcohol is 58.041866 g/mol.
Where can I buy Allyl Alcohol?
You can request a quote for Allyl Alcohol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allyl Alcohol?
Yes, CoreyChem provides custom synthesis services for Allyl Alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.