1,3-Butanediol
TL;DR: 1,3-Butanediol (CAS 107-88-0) is a chemical compound with molecular formula C4H10O2 and molecular weight 90.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butane-1,3-diol
Also Known As: 1,3-BUTANEDIOL, Butane-1,3-diol, Butylene glycol, 1,3-Butylene glycol, 1,3-Dihydroxybutane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H10O2 |
| Molecular Weight | 90.06808 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 90.06808 Da |
| Heavy Atoms | 6 |
| Complexity | 28.0 |
| Melting Point | < -50 °C |
| Boiling Point | 207.5 °C |
| Density | 1.0053 g/cu cm at 20 °C |
| Flash Point | 121 °C |
| Vapor Pressure | 0.02 [mmHg] |
| Refractive Index | Index of refraction: 1.4401 at 20 °C |
| Solubility | Miscible with water |
| SMILES | CC(CCO)O |
| InChIKey | PUPZLCDOIYMWBV-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Butanediol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
1,3-Butanediol (CAS 107-88-0) is a pharmaceutical intermediate with the molecular formula C4H10O2 and a molecular weight of 90.07 g/mol. Key physical properties include a density of 1.0053 g/cu cm at 20 °C g/cm³, a solubility: Miscible with water. Synonyms include 1,3-BUTANEDIOL and Butane-1,3-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 1,3-Butanediol
Property Insights of 1,3-Butanediol
The XLogP value of -0.4 indicates that 1,3-Butanediol 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, 1,3-Butanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanediol 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 1,3-Butanediol?
The CAS number of 1,3-Butanediol is 107-88-0.
What is the molecular formula of 1,3-Butanediol?
The molecular formula of 1,3-Butanediol is C4H10O2.
What is the molecular weight of 1,3-Butanediol?
The molecular weight of 1,3-Butanediol is 90.06808 g/mol.
What are the applications of 1,3-Butanediol?
1,3-Butanediol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1,3-Butanediol?
You can request a quote for 1,3-Butanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Butanediol?
Yes, CoreyChem provides custom synthesis services for 1,3-Butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.