4-Methyl-2-hexanone
TL;DR: 4-Methyl-2-hexanone (CAS 105-42-0) 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.
4-methylhexan-2-one
Also Known As: 4-METHYL-2-HEXANONE, 4-methylhexan-2-one, 2-Hexanone, 4-methyl-, 3-methyl-5-hexanone, Methyl 2-methylbutyl ketone
Application Areas
Top 5 of 14 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 | 3 |
| Exact Mass | 114.10446 Da |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
| SMILES | CCC(C)CC(=O)C |
| InChIKey | XUPXMIAWKPTZLZ-UHFFFAOYSA-N |
Product Description
Applications: 4-Methyl-2-hexanone is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Methyl-2-hexanone (CAS 105-42-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Methyl-2-hexanone (CAS 105-42-0) is a pharmaceutical intermediate with the molecular formula C7H14O and a molecular weight of 114.1 g/mol. It is also known as 4-METHYL-2-HEXANONE and 4-methylhexan-2-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 4-Methyl-2-hexanone
Property Insights of 4-Methyl-2-hexanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-hexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Methyl-2-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-hexanone 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 4-Methyl-2-hexanone?
The CAS number of 4-Methyl-2-hexanone is 105-42-0.
What is the molecular formula of 4-Methyl-2-hexanone?
The molecular formula of 4-Methyl-2-hexanone is C7H14O.
What is the molecular weight of 4-Methyl-2-hexanone?
The molecular weight of 4-Methyl-2-hexanone is 114.10446 g/mol.
What are the applications of 4-Methyl-2-hexanone?
4-Methyl-2-hexanone is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Methyl-2-hexanone (CAS 105-42-0)...
Where can I buy 4-Methyl-2-hexanone?
You can request a quote for 4-Methyl-2-hexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-2-hexanone?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-2-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.