Butene-1,4-diol
TL;DR: Butene-1,4-diol (CAS 29733-86-6) is a chemical compound with molecular formula C4H8O2 and molecular weight 88.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-1-ene-1,4-diol
Also Known As: Butene-1,4-diol, 1,4-butaendiol, 1,4-Butenediol, but-1-ene-1,4-diol, (Z)-but-1-ene-1,4-diol
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8O2 |
| Molecular Weight | 88.05243 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 88.05243 Da |
| Heavy Atoms | 6 |
| Complexity | 40.0 |
| Melting Point | 45 °F (USCG, 1999) |
| Boiling Point | 453 °F at 760 mmHg (USCG, 1999) |
| Density | 1.07 at 77 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 263 °F (USCG, 1999) |
| SMILES | C(CO)C=CO |
| InChIKey | OZCRKDNRAAKDAN-UHFFFAOYSA-N |
Chemical Property Profile of Butene-1,4-diol
Property Insights of Butene-1,4-diol
The XLogP value of -0.1 indicates that Butene-1,4-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, Butene-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butene-1,4-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butene-1,4-diol?
The CAS number of Butene-1,4-diol is 29733-86-6.
What is the molecular formula of Butene-1,4-diol?
The molecular formula of Butene-1,4-diol is C4H8O2.
What is the molecular weight of Butene-1,4-diol?
The molecular weight of Butene-1,4-diol is 88.05243 g/mol.
Where can I buy Butene-1,4-diol?
You can request a quote for Butene-1,4-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butene-1,4-diol?
Yes, CoreyChem provides custom synthesis services for Butene-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.