CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear light yellow liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Boiling Point | 169.00 to 171.00 °C. @ 760.00 mm Hg |
| Melting Point | -40.6 °C |
| Solubility | insoluble in water; soluble in oils |
| Density | 0.924-0.934 |
| Vapor Pressure | 1.5 [mmHg] |
| LogP | 1.38 |
| Refractive Index | 1.441-1.452 |
| Kovats Retention Index | 923 936 939 943 945 954 918 937 945 |
| Chemical Classes | Solvents -> Ketones (<C12) |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.17 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.088815002 g/mol |
| Monoisotopic Mass | 112.088815002 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 86.6 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-methylcyclohexanone is a member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 4. It has a role as a flavouring agent and a plant metabolite.