Hexylene Glycol
TL;DR: Hexylene Glycol (CAS 107-41-5) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
己二醇
2-methylpentane-2,4-diol
Also Known As: Hexylene glycol, 2-METHYL-2,4-PENTANEDIOL, 2-Methylpentane-2,4-diol, Pinakon, Diolane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H14O2 |
| Molecular Weight | 118.09938 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.09938 Da |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
| Melting Point | -58 °F (USCG, 1999) |
| Boiling Point | 387 °F at 760 mmHg (USCG, 1999) |
| Density | 0.923 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 200 °F (USCG, 1999) |
| Vapor Pressure | 0.05 mmHg (NIOSH, 2024) |
| Refractive Index | Index of refraction: 1.4276 at 20 °C/D |
| Solubility | Miscible (NIOSH, 2024) |
| SMILES | CC(CC(C)(C)O)O |
| InChIKey | SVTBMSDMJJWYQN-UHFFFAOYSA-N |
Product Description
Applications: Hexylene Glycol is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. 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).
A pharmaceutical intermediate supplied by CoreyChem, Hexylene Glycol (CAS 107-41-5) has the molecular formula C6H14O2 and a molecular weight of 118.1 g/mol. Reported properties include a density of 0.923 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Miscible (NIOSH, 2024). Synonyms include Hexylene glycol and 2-METHYL-2,4-PENTANEDIOL.
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 Hexylene Glycol
Property Insights of Hexylene Glycol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexylene Glycol. With a topological polar surface area (TPSA) of 40.5 Ų, Hexylene Glycol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexylene Glycol 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 Hexylene Glycol?
The CAS number of Hexylene Glycol is 107-41-5.
What is the molecular formula of Hexylene Glycol?
The molecular formula of Hexylene Glycol is C6H14O2.
What is the molecular weight of Hexylene Glycol?
The molecular weight of Hexylene Glycol is 118.09938 g/mol.
What are the applications of Hexylene Glycol?
Hexylene Glycol is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. 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 Hexylene Glycol?
You can request a quote for Hexylene Glycol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexylene Glycol?
Yes, CoreyChem provides custom synthesis services for Hexylene Glycol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.