Ethyl ketone
TL;DR: Ethyl ketone (CAS 96-22-0) is a chemical compound with molecular formula C5H10O and molecular weight 86.073166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentan-3-one
Also Known As: 3-PENTANONE, Diethyl ketone, Pentan-3-one, Dimethylacetone, Methacetone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10O |
| Molecular Weight | 86.073166 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 86.073166 Da |
| Heavy Atoms | 6 |
| Complexity | 41.0 |
| Melting Point | -44 °F (USCG, 1999) |
| Boiling Point | 216 °F at 760 mmHg (USCG, 1999) |
| Density | 0.8159 at 66.2 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 55 °F (USCG, 1999) |
| Vapor Pressure | 25.85 mmHg (USCG, 1999) |
| Refractive Index | Index of refraction: 1.3905 at 25 °C/D |
| Solubility | 5 % (NIOSH, 2024) |
| SMILES | CCC(=O)CC |
| InChIKey | FDPIMTJIUBPUKL-UHFFFAOYSA-N |
Product Description
Applications: Ethyl ketone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. 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 heterocyclic building block supplied by CoreyChem, Ethyl ketone (CAS 96-22-0) has the molecular formula C5H10O and a molecular weight of 86.07 g/mol. Reported properties include a density of 0.8159 at 66.2 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 5 % (NIOSH, 2024). Synonyms include 3-PENTANONE and Diethyl ketone.
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 Ethyl ketone
Property Insights of Ethyl ketone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl ketone. With a topological polar surface area (TPSA) of 17.1 Ų, Ethyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl ketone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl ketone?
The CAS number of Ethyl ketone is 96-22-0.
What is the molecular formula of Ethyl ketone?
The molecular formula of Ethyl ketone is C5H10O.
What is the molecular weight of Ethyl ketone?
The molecular weight of Ethyl ketone is 86.073166 g/mol.
What are the applications of Ethyl ketone?
Ethyl ketone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy Ethyl ketone?
You can request a quote for Ethyl ketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl ketone?
Yes, CoreyChem provides custom synthesis services for Ethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.