Methallyl alcohol
TL;DR: Methallyl alcohol (CAS 513-42-8) is a chemical compound with molecular formula C4H8O and molecular weight 72.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylprop-2-en-1-ol
Also Known As: METHALLYL ALCOHOL, 2-Methylprop-2-en-1-ol, 2-Methyl-2-propen-1-ol, Isopropenyl carbinol, 2-Methylallyl alcohol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8O |
| Molecular Weight | 72.05752 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.05752 Da |
| Heavy Atoms | 5 |
| Complexity | 38.0 |
| Boiling Point | 239 °F at 760 mmHg (USCG, 1999) |
| Density | 0.8515 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 92 °F (USCG, 1999) |
| SMILES | CC(=C)CO |
| InChIKey | BYDRTKVGBRTTIT-UHFFFAOYSA-N |
Product Description
Applications: Methallyl alcohol is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methallyl alcohol (CAS 513-42-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Methallyl alcohol is a polymer intermediate identified by CAS number 513-42-8 and the molecular formula C4H8O and a molecular weight of 72.06 g/mol. Physically, the compound has a density of 0.8515 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³. It is also known as METHALLYL ALCOHOL and 2-Methylprop-2-en-1-ol.
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 Methallyl alcohol
Property Insights of Methallyl alcohol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methallyl alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, Methallyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methallyl 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 Methallyl alcohol?
The CAS number of Methallyl alcohol is 513-42-8.
What is the molecular formula of Methallyl alcohol?
The molecular formula of Methallyl alcohol is C4H8O.
What is the molecular weight of Methallyl alcohol?
The molecular weight of Methallyl alcohol is 72.05752 g/mol.
What are the applications of Methallyl alcohol?
Methallyl alcohol is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methallyl alcohol (CAS 513-42-8)...
Where can I buy Methallyl alcohol?
You can request a quote for Methallyl alcohol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methallyl alcohol?
Yes, CoreyChem provides custom synthesis services for Methallyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.