1,3-Dioxane
TL;DR: 1,3-Dioxane (CAS 505-22-6) 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.
1,3-dioxane
Also Known As: 1,3-DIOXANE, m-Dioxane, meta-Dioxane, 1,3-Dioxacyclohexane, m-Dioxin, dihydro-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8O2 |
| Molecular Weight | 88.05243 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 88.05243 Da |
| Heavy Atoms | 6 |
| Complexity | 32.0 |
| Melting Point | -44 °F (NTP, 1992) |
| Boiling Point | 221 °F at 755 mmHg (NTP, 1992) |
| Density | 1.0342 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 35.6 °F (NTP, 1992) |
| Vapor Pressure | 38.5 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4165 AT 20 °C/D |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C1COCOC1 |
| InChIKey | VDFVNEFVBPFDSB-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Dioxane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,3-Dioxane (CAS 505-22-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 1,3-Dioxane (CAS 505-22-6) has the molecular formula C4H8O2 and a molecular weight of 88.05 g/mol. Reported properties include a density of 1.0342 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: greater than or equal to 100 mg/mL at 68 °F (NTP, 1992). It is also known as 1,3-DIOXANE and m-Dioxane.
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-Dioxane
Property Insights of 1,3-Dioxane
The XLogP value of -0.2 indicates that 1,3-Dioxane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane has 0 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-Dioxane?
The CAS number of 1,3-Dioxane is 505-22-6.
What is the molecular formula of 1,3-Dioxane?
The molecular formula of 1,3-Dioxane is C4H8O2.
What is the molecular weight of 1,3-Dioxane?
The molecular weight of 1,3-Dioxane is 88.05243 g/mol.
What are the applications of 1,3-Dioxane?
1,3-Dioxane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,3-Dioxane (CAS 505-22-6) with custom...
Where can I buy 1,3-Dioxane?
You can request a quote for 1,3-Dioxane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dioxane?
Yes, CoreyChem provides custom synthesis services for 1,3-Dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.