3-Heptanone
TL;DR: 3-Heptanone (CAS 106-35-4) is a chemical compound with molecular formula C7H14O and molecular weight 114.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptan-3-one
Also Known As: 3-Heptanone, Heptan-3-one, Butyl ethyl ketone, Aethylbutylketon, Ethylbutylcetone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O |
| Molecular Weight | 114.10446 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.10446 Da |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Melting Point | -38 °F (USCG, 1999) |
| Boiling Point | 297 °F at 760 mmHg (USCG, 1999) |
| Density | 0.818 (USCG, 1999) - Less dense than water; will float |
| Flash Point | 115 °F (USCG, 1999) |
| Vapor Pressure | 4 mmHg (NIOSH, 2024) |
| Refractive Index | Index of refraction: 1.4057 at 20 °C/D |
| Solubility | 1 % (NIOSH, 2024) |
| SMILES | CCCCC(=O)CC |
| InChIKey | NGAZZOYFWWSOGK-UHFFFAOYSA-N |
Product Description
Applications: 3-Heptanone is used in polymer chemistry and functional materials synthesis, 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).
3-Heptanone (CAS 106-35-4) is a polymer intermediate with the molecular formula C7H14O and a molecular weight of 114.1 g/mol. Key physical properties include a density of 0.818 (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 1 % (NIOSH, 2024). Synonyms include 3-Heptanone and Heptan-3-one.
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 3-Heptanone
Property Insights of 3-Heptanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Heptanone. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Heptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptanone 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 3-Heptanone?
The CAS number of 3-Heptanone is 106-35-4.
What is the molecular formula of 3-Heptanone?
The molecular formula of 3-Heptanone is C7H14O.
What is the molecular weight of 3-Heptanone?
The molecular weight of 3-Heptanone is 114.10446 g/mol.
What are the applications of 3-Heptanone?
3-Heptanone is used in polymer chemistry and functional materials synthesis, 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...
Where can I buy 3-Heptanone?
You can request a quote for 3-Heptanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Heptanone?
Yes, CoreyChem provides custom synthesis services for 3-Heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.