3-Methyl-2-buten-1-OL
TL;DR: 3-Methyl-2-buten-1-OL (CAS 556-82-1) is a chemical compound with molecular formula C5H10O and molecular weight 86.073166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylbut-2-en-1-ol
Also Known As: Prenol, 3-METHYL-2-BUTEN-1-OL, 3-Methylbut-2-en-1-ol, Prenyl alcohol, 3-Methyl-2-butenol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10O |
| Molecular Weight | 86.073166 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 86.073166 Da |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
| Melting Point | -59.3 °C |
| Boiling Point | 138.00 to 174.00 °C. @ 760.00 mm Hg |
| Density | 0.85 g/cm³ |
| Flash Point | 50 °C c.c. |
| Vapor Pressure | 1.05 [mmHg] |
| Refractive Index | 1.438-1.448 |
| Solubility | Solubility in water, g/100ml at 20 °C: 17 (good) |
| SMILES | CC(=CCO)C |
| InChIKey | ASUAYTHWZCLXAN-UHFFFAOYSA-N |
Product Description
Applications: 3-Methyl-2-buten-1-OL is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Methyl-2-buten-1-OL (CAS 556-82-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A organic building block supplied by CoreyChem, 3-Methyl-2-buten-1-OL (CAS 556-82-1) has the molecular formula C5H10O and a molecular weight of 86.07 g/mol. Reported properties include a density of 0.85 g/cm³ g/cm³, a solubility: Solubility in water, g/100ml at 20 °C: 17 (good). It is also known as Prenol and 3-METHYL-2-BUTEN-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 3-Methyl-2-buten-1-OL
Property Insights of 3-Methyl-2-buten-1-OL
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-buten-1-OL. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Methyl-2-buten-1-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-buten-1-OL 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 3-Methyl-2-buten-1-OL?
The CAS number of 3-Methyl-2-buten-1-OL is 556-82-1.
What is the molecular formula of 3-Methyl-2-buten-1-OL?
The molecular formula of 3-Methyl-2-buten-1-OL is C5H10O.
What is the molecular weight of 3-Methyl-2-buten-1-OL?
The molecular weight of 3-Methyl-2-buten-1-OL is 86.073166 g/mol.
What are the applications of 3-Methyl-2-buten-1-OL?
3-Methyl-2-buten-1-OL is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Methyl-2-buten-1-OL (CAS...
Where can I buy 3-Methyl-2-buten-1-OL?
You can request a quote for 3-Methyl-2-buten-1-OL directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-2-buten-1-OL?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-2-buten-1-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.