2-Butyne-1,4-diol
TL;DR: 2-Butyne-1,4-diol (CAS 110-65-6) is a chemical compound with molecular formula C4H6O2 and molecular weight 86.03678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-yne-1,4-diol
Also Known As: 2-Butyne-1,4-diol, But-2-yne-1,4-diol, Butynediol, 2-Butynediol, 1,4-Dihydroxy-2-butyne
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6O2 |
| Molecular Weight | 86.03678 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 86.03678 Da |
| Heavy Atoms | 6 |
| Complexity | 66.0 |
| Melting Point | 50 °C |
| Boiling Point | 460 °F at 760 mmHg (USCG, 1999) |
| Density | 1.07 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 263 °F (USCG, 1999) |
| Vapor Pressure | 0.000556 [mmHg] |
| Refractive Index | Iindex of refraction: 1.4804 at 20 °C/D |
| Solubility | Insoluble in benzene; slightly soluble in ethyl ether, choroform; very soluble in ethanol, acetone, methanol |
| SMILES | C(C#CCO)O |
| InChIKey | DLDJFQGPPSQZKI-UHFFFAOYSA-N |
Product Description
Applications: 2-Butyne-1,4-diol is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Butyne-1,4-diol is a polymer intermediate identified by CAS number 110-65-6 and the molecular formula C4H6O2 and a molecular weight of 86.04 g/mol. Physically, the compound has a density of 1.07 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: Insoluble in benzene; slightly soluble in ethyl ether, choroform; very soluble in ethanol, acetone, methanol. Synonyms include 2-Butyne-1,4-diol and But-2-yne-1,4-diol.
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 2-Butyne-1,4-diol
Property Insights of 2-Butyne-1,4-diol
The XLogP value of -1.1 indicates that 2-Butyne-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, 2-Butyne-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyne-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 2-Butyne-1,4-diol?
The CAS number of 2-Butyne-1,4-diol is 110-65-6.
What is the molecular formula of 2-Butyne-1,4-diol?
The molecular formula of 2-Butyne-1,4-diol is C4H6O2.
What is the molecular weight of 2-Butyne-1,4-diol?
The molecular weight of 2-Butyne-1,4-diol is 86.03678 g/mol.
What are the applications of 2-Butyne-1,4-diol?
2-Butyne-1,4-diol is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 2-Butyne-1,4-diol?
You can request a quote for 2-Butyne-1,4-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butyne-1,4-diol?
Yes, CoreyChem provides custom synthesis services for 2-Butyne-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.