Cyclohexanone
SIAL/29140 - puriss. p.a., ≥99.5% (GC)
Synonym: pimelic ketone
CAS Number: 108-94-1
Empirical Formula (Hill Notation): C6H10O
Molecular Weight: 98.14
EC Number: 203-631-1
MDL Number: MFCD00001625
Linear Formula: C6H10(=O)
Product Type: Chemical
| assay | ≥99.5% (GC) |
| autoignition temp. | 788 °F |
| bp | 155 °C (lit.) |
| cation traces | Al: ≤0.5 mg/kg |
| Ba: ≤0.1 mg/kg | |
| Bi: ≤0.1 mg/kg | |
| Ca: ≤0.5 mg/kg | |
| Cd: ≤0.05 mg/kg | |
| Co: ≤0.02 mg/kg | |
| Cr: ≤0.02 mg/kg | |
| Cu: ≤0.02 mg/kg | |
| Fe: ≤0.1 mg/kg | |
| K: ≤0.5 mg/kg | |
| Li: ≤0.1 mg/kg | |
| Mg: ≤0.1 mg/kg | |
| Mn: ≤0.02 mg/kg | |
| Mo: ≤0.1 mg/kg | |
| Na: ≤0.5 mg/kg | |
| Ni: ≤0.02 mg/kg | |
| Pb: ≤0.1 mg/kg | |
| Sr: ≤0.1 mg/kg | |
| Zn: ≤0.1 mg/kg | |
| density | 0.947 g/mL at 25 °C (lit.) |
| evapn. residue | ≤0.05% |
| expl. lim. | 1.1 %, 100 °F |
| 9.4 % | |
| functional group | ketone |
| grade | puriss. p.a. |
| impurities | ≤0.5% water |
| InChI | 1S/C6H10O/c7-6-4-2-1-3-5- |
| InChI key | JHIVVAPYMSGYDF-UHFFFAOYSA |
| mp | −47 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| n |
|
| SMILES string | O=C1CCCCC1 |
| technique(s) | GC/GC: suitable |
| vapor density | 3.4 (vs air) |
| vapor pressure | 3.4 mmHg ( 20 °C) |
| Application: | Cyclohexanone may undergo asymmetric Michael addition with aryl and alkyl nitroolefins in the presence of pyrrolidine-urea based catalysts to form the corresponding adducts. It may also be used in the synthesis of a wide range of compounds such as adipic acid, 2-(hydroxy(phenyl)methyl) |
| General description: | Cyclohexanone is a cyclic ketone mainly used as an intermediate in the synthesis of nylon. |
| Symbol |    GHS02,GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H226 - H302 + H312 + H332 - H315 - H318 |
| Precautionary statements | P210 - P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338 + P310 |
| Hazard Codes | Xn |
| Risk Statements | 10-20/21/22-38-41 |
| Safety Statements | 26-36/37/39 |
| RIDADR | UN 1915 3 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 109.4 °F |
| Flash Point(C) | 43 °C |
| Purity | ≥99.5% (GC) |
| bp | 155 °C (lit.) |
| mp | −47 °C (lit.) |
| Density | 0.947 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |