1,3-Propanediol
TL;DR: 1,3-Propanediol (CAS 504-63-2) is a chemical compound with molecular formula C3H8O2 and molecular weight 76.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propane-1,3-diol
Also Known As: 1,3-PROPANEDIOL, Propane-1,3-diol, Trimethylene glycol, 1,3-Dihydroxypropane, 2-Deoxyglycerol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H8O2 |
| Molecular Weight | 76.05243 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 76.05243 Da |
| Heavy Atoms | 5 |
| Complexity | 12.0 |
| Boiling Point | 210-212 °C |
| Density | 1.0597 at 20 °C/4 °C |
| Flash Point | Flash Point: 174 °F/ 345 °C /closed cup/ |
| Vapor Pressure | 0.04 [mmHg] |
| Refractive Index | Index of refraction: 1.4398 at 20 °C/D |
| Solubility | Miscible with water |
| SMILES | C(CO)CO |
| InChIKey | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Propanediol is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,3-Propanediol (CAS 504-63-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,3-Propanediol is a polymer intermediate identified by CAS number 504-63-2 and the molecular formula C3H8O2 and a molecular weight of 76.05 g/mol. Physically, the compound has a density of 1.0597 at 20 °C/4 °C g/cm³, a solubility: Miscible with water. It is also known as 1,3-PROPANEDIOL and Propane-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-Propanediol
Property Insights of 1,3-Propanediol
The XLogP value of -1.0 indicates that 1,3-Propanediol 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-Propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol 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-Propanediol?
The CAS number of 1,3-Propanediol is 504-63-2.
What is the molecular formula of 1,3-Propanediol?
The molecular formula of 1,3-Propanediol is C3H8O2.
What is the molecular weight of 1,3-Propanediol?
The molecular weight of 1,3-Propanediol is 76.05243 g/mol.
What are the applications of 1,3-Propanediol?
1,3-Propanediol is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,3-Propanediol (CAS 504-63-2) with custom synthesis...
Where can I buy 1,3-Propanediol?
You can request a quote for 1,3-Propanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Propanediol?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.