CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless, oily liquid; [HSDB] Colorless liquid; mp = 11-13 deg C; [MSDSonline] |
|---|---|
| Color/Form | Oily liquid |
| Odor | Strong odor |
| Boiling Point | 231.5 °C |
| Melting Point | 15 °C |
| Flash Point | 192 °F (89 °C) (Closed cup) |
| Solubility | Insoluble in water. Soluble in ethanol, ether, acetone, benzene, carbon tetrachloride, chloroform. |
| Density | 0.8260 to 0.8263 at 20 °C/4 °C |
| Vapor Density | 5.9 (Air = 1) |
| Vapor Pressure | 0.04 [mmHg] |
| LogP | log Kow = 4.09 |
| Henry's Law Constant | Henry's Law constant = 6.36X10-5 atm-cu m/mol at 25 °C |
| Stability/Shelf Life | Stable at room temperature. Slight discoloration was observed over an extended period of time. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Refractive Index | Index of refraction = 1.4291 at 20 °C/D |
| Kovats Retention Index | 1274 1302 1273 1273 1273 1278 1271.7 1273 1274 1279 1279 1276 1269 1270 1274 1274 1277 1274 1280 1272 1284.5 1298.5 1279 1276.9 1280.6 1256.3 1270 1274 1270 1270 1273 1273 1279 1268 1273 1270 1273 1272 1247 1272 1273 1271 1276 1272 1275 1276 1269 1273 1269 1278 1277 1278 1247 1274 1288 1275.7 1277 1271 1274 1270 1273 1269 1274 1272 1275 1271 1289 1276 1273 1273 1273 1268 1272 1274.3 1249 1273 1274 |
| Chemical Classes | Solvents -> Ketones (<C12) |
COMPUTED DESCRIPTORS
| Molecular Weight | 170.29 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 8 |
| Exact Mass | 170.167065321 g/mol |
| Monoisotopic Mass | 170.167065321 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 108 |
| 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
Undecan-2-one is a dialkyl ketone with methyl and nonyl as the two alkyl groups. It has a role as a rodenticide and a plant metabolite. It is a dialkyl ketone and a methyl ketone.