5-Methyl-2-hexanone
TL;DR: 5-Methyl-2-hexanone (CAS 110-12-3) 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.
5-methylhexan-2-one
Also Known As: 5-METHYL-2-HEXANONE, 5-Methylhexan-2-one, Isoamyl methyl ketone, Methyl isoamyl ketone, 2-Hexanone, 5-methyl-
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 | 1.9 |
| 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 | 74.0 |
| Melting Point | -101 °F (NIOSH, 2024) |
| Boiling Point | 291 °F at 760 mmHg (NIOSH, 2024) |
| Density | 0.81 (NIOSH, 2024) - Less dense than water; will float |
| Flash Point | 97 °F (NIOSH, 2024) |
| Vapor Pressure | 5 mmHg (NIOSH, 2024) |
| Refractive Index | Index of refraction: 1.4062 at 20 °C/D |
| Solubility | 0.5 % (NIOSH, 2024) |
| SMILES | CC(C)CCC(=O)C |
| InChIKey | FFWSICBKRCICMR-UHFFFAOYSA-N |
Product Description
Applications: 5-Methyl-2-hexanone is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. 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).
5-Methyl-2-hexanone is a polymer intermediate identified by CAS number 110-12-3 and the molecular formula C7H14O and a molecular weight of 114.1 g/mol. Physically, the compound has a density of 0.81 (NIOSH, 2024) - Less dense than water; will float g/cm³, a solubility: 0.5 % (NIOSH, 2024). Synonyms include 5-METHYL-2-HEXANONE and 5-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 5-Methyl-2-hexanone
Property Insights of 5-Methyl-2-hexanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-hexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Methyl-2-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-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 5-Methyl-2-hexanone?
The CAS number of 5-Methyl-2-hexanone is 110-12-3.
What is the molecular formula of 5-Methyl-2-hexanone?
The molecular formula of 5-Methyl-2-hexanone is C7H14O.
What is the molecular weight of 5-Methyl-2-hexanone?
The molecular weight of 5-Methyl-2-hexanone is 114.10446 g/mol.
What are the applications of 5-Methyl-2-hexanone?
5-Methyl-2-hexanone is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy 5-Methyl-2-hexanone?
You can request a quote for 5-Methyl-2-hexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-2-hexanone?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-2-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.