| 3-METHYLCYCLOHEXANONE Basic information |
| Product Name: | 3-METHYLCYCLOHEXANONE |
| Synonyms: | (+/-)-3-METHYLCYCLOHEXANONE;3-METHYLCYCLOHEXANONE;FEMA 3947;(R,S)-3-Methyl-cyclohexanone;NSC 3709;3-methyl-cyclohexanon;Methyl-3 cyclohexanone-1;methyl-3cyclohexanone-1 |
| CAS: | 591-24-2 |
| MF: | C7H12O |
| MW: | 112.17 |
| EINECS: | 209-710-7 |
| Product Categories: | Building Blocks;C7 to C8;Carbonyl Compounds;Chemical Synthesis;Ketones;Organic Building Blocks |
| Mol File: | 591-24-2.mol |
| 3-METHYLCYCLOHEXANONE Chemical Properties |
| Melting point | -73 °C |
| Boiling point | 169-170 °C (lit.) |
| alpha | [α]D20 0.0±0.5゜ (neat) |
| density | 0.914 g/mL at 25 °C (lit.) |
| refractive index | n |
| FEMA | 3947 | 3-METHYLCYCLOHEXANONE |
| Fp | 125 °F |
| storage temp. | Flammables area |
| form | Liquid |
| color | Clear colorless to very slightly yellow |
| Water Solubility | 1.498g/L(20 ºC) |
| JECFA Number | 1103 |
| BRN | 969804 |
| CAS DataBase Reference | 591-24-2(CAS DataBase Reference) |
| EPA Substance Registry System | Cyclohexanone, 3-methyl- (591-24-2) |
| Safety Information |
| Hazard Codes | Xn |
| Risk Statements | 10 |
| Safety Statements | 36/37-23-16 |
| RIDADR | UN 2297 3/PG 3 |
| WGK Germany | 1 |
| RTECS | GW1750100 |
| HazardClass | 3.2 |
| PackingGroup | III |
| HS Code | 29142200 |
| MSDS Information |
| Provider | Language |
|---|---|
| SigmaAldrich | English |
| ACROS | English |
| 3-METHYLCYCLOHEXANONE Usage And Synthesis |
| Chemical Properties | CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID |
| Chemical Properties | 3-Methylcyclohexanone has an acetone-like odor. |
| Occurrence | Reported found in the plant Mentha pulegium L. (European pennyroyal), peppermint oil, cornmint oil, penny royal oil, buchu oil and heater beef fat |
| Aroma threshold values | Aroma characteristics at 1.0%: minty cooling, clean and impacting with a slight medicinal solvent nuance. |
| Taste threshold values | Taste characteristics at 15 ppm: minty, sweet, lifting cooling with a slight ethereal solvent-like impact; fresh and slightly medicinal |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 47, p. 2790, 1982 DOI: 10.1021/jo00135a024Tetrahedron Letters, 25, p. 5911, 1984 DOI: 10.1016/S0040-4039(01)81718-4 |
| 3-METHYLCYCLOHEXANONE Preparation Products And Raw materials |
| Raw materials | Tetrahydrofuran-->Sodium-->Cuprous bromide-->Trimethylaluminium-->2-Cyclohexen-1-one |
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