Pentaerythritol
TL;DR: Pentaerythritol (CAS 115-77-5) is a chemical compound with molecular formula C5H12O4 and molecular weight 136.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-bis(hydroxymethyl)propane-1,3-diol
Also Known As: PENTAERYTHRITOL, Pentek, Pentaerythrite, Auxinutril, Maxinutril
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12O4 |
| Molecular Weight | 136.07356 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.07356 Da |
| Heavy Atoms | 9 |
| Complexity | 51.0 |
| Melting Point | 502 °F (USCG, 1999) |
| Boiling Point | Sublimes (NIOSH, 2024) |
| Density | 1.39 at 77 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | About 240 °C (open cup) |
| Vapor Pressure | 8e-08 mmHg (NIOSH, 2024) |
| Refractive Index | Index of refraction: 1.548 at 25 °C/D |
| Solubility | 6 % at 59 °F (NIOSH, 2024) |
| SMILES | C(C(CO)(CO)CO)O |
| InChIKey | WXZMFSXDPGVJKK-UHFFFAOYSA-N |
Product Description
Applications: Pentaerythritol 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Pentaerythritol (CAS 115-77-5) is a polymer intermediate with the molecular formula C5H12O4 and a molecular weight of 136.07 g/mol. Key physical properties include a density of 1.39 at 77 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: 6 % at 59 °F (NIOSH, 2024). Synonyms include PENTAERYTHRITOL and Pentek.
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 Pentaerythritol
Property Insights of Pentaerythritol
The XLogP value of -2.4 indicates that Pentaerythritol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol. Following Lipinski's Rule of Five, Pentaerythritol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentaerythritol?
The CAS number of Pentaerythritol is 115-77-5.
What is the molecular formula of Pentaerythritol?
The molecular formula of Pentaerythritol is C5H12O4.
What is the molecular weight of Pentaerythritol?
The molecular weight of Pentaerythritol is 136.07356 g/mol.
What are the applications of Pentaerythritol?
Pentaerythritol 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg...
Where can I buy Pentaerythritol?
You can request a quote for Pentaerythritol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentaerythritol?
Yes, CoreyChem provides custom synthesis services for Pentaerythritol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.