HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Undecanone
5-UNDECANONE · 5-Hendecanone · Undecan-5-one · Butyl hexyl ketone · N-BUTYL N-HEXYL KETONE
Identifiers & Physical Properties
| CAS No. | 33083-83-9 |
|---|---|
| Molecular formula | C11H22O |
| Average molar mass | 170.29 g/mol |
| Monoisotopic mass | 170.16706532 g/mol |
| SMILES | CCCCCCC(=O)CCCC |
| InChIKey | WENNKWXPAWNIOO-UHFFFAOYSA-N |
| PubChem CID | 98677 |
| EC No. | 251-371-2 |
| DTXSID | DTXSID70186744 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 8 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 108 |
| Solvents | Solvents -> Ketones (<C12) |
| SpringerMaterials Properties | Density |
| Physical Description | mp = 2 deg C[ChemIDplus] Colorless liquid[Alfa Aesar MSDS] |
| Melting point | 1-2°C |
| Boiling point | 103-106°C 12mm |
| Density | 0,83 g/cm3 |
| Refractive index | 1.4280 |
| Flash point | 103-106°C/12mm |
| Physical state | clear liquid |
| Color | Colorless to Almost colorless |
| BRN | 1749497 |
| LogP (partition coefficient) | 4.034 (est) |
| CAS DataBase Reference | 33083-83-9 |
| FDA UNII | 0HA3U4E7AN |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H227-H315 |
| GHS precautionary statements | P210-P280-P370+P378-P403+P235-P501 |
| Customs code | 2914.19.0000 |
Safety & Regulations
| Hazards summary | May cause irritation[Alfa Aesar MSDS] See 2-Undecanone. |
|---|---|
| Adverse effects | Neurotoxin - Acute solvent syndrome |
| Customs code | 2914.19.0000 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H227-H315 |
| GHS precautionary statements | P210-P280-P370+P378-P403+P235-P501 |
Applications & Uses
Uses
5-Undecanone is a useful research chemical used in the preparation of carboxaldehydes, ketones, and esters via iodine-mediated oxidation of alcohols.