Hexyl acetate
TL;DR: Hexyl acetate (CAS 142-92-7) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexyl acetate
Also Known As: Hexyl acetate, n-Hexyl acetate, Hexyl ethanoate, 1-Hexyl acetate, Acetic Acid Hexyl Ester
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.11504 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 144.11504 Da |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
| Melting Point | -112 °F (USCG, 1999) |
| Boiling Point | 334.4 to 338 °F at 760 mmHg (USCG, 1999) |
| Density | 0.876 (USCG, 1999) - Less dense than water; will float |
| Flash Point | 99 °F (USCG, 1999) |
| Vapor Pressure | 1.32 [mmHg] |
| Refractive Index | Index of refraction: 1.4092 at 20 °C |
| Solubility | Very soluble in alcohol and ether |
| SMILES | CCCCCCOC(=O)C |
| InChIKey | AOGQPLXWSUTHQB-UHFFFAOYSA-N |
Product Description
Applications: Hexyl acetate 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).
A polymer intermediate supplied by CoreyChem, Hexyl acetate (CAS 142-92-7) has the molecular formula C8H16O2 and a molecular weight of 144.12 g/mol. Reported properties include a density of 0.876 (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Very soluble in alcohol and ether. Synonyms include Hexyl acetate and n-Hexyl acetate.
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 Hexyl acetate
Property Insights of Hexyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl acetate 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 Hexyl acetate?
The CAS number of Hexyl acetate is 142-92-7.
What is the molecular formula of Hexyl acetate?
The molecular formula of Hexyl acetate is C8H16O2.
What is the molecular weight of Hexyl acetate?
The molecular weight of Hexyl acetate is 144.11504 g/mol.
What are the applications of Hexyl acetate?
Hexyl acetate 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...
Where can I buy Hexyl acetate?
You can request a quote for Hexyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexyl acetate?
Yes, CoreyChem provides custom synthesis services for Hexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.