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| | 2,2,6-TRIMETHYLCYCLOHEXANONE Basic information |
| Product Name: | 2,2,6-TRIMETHYLCYCLOHEXANONE | | Synonyms: | 1,1,3-Trimethyl-2-cyclohexanone;2,2,6-Trimethylcyclohexan-1-one;2,2,6-trimethyl-cyclohexanon;2,6,6-Trimethylcyclohexanone;2,2,6-TRIMETHYLCYCLOHEXANONE;2 2 6-TRIMETHYLCYCLOHEXANONE 98+%;Cyclohexanone, 2,2,6-trimethyl-;2,2,6-TRIMETHYLCYCLOHEXANONE 98.5+% (GC) | | CAS: | 2408-37-9 | | MF: | C9H16O | | MW: | 140.22 | | EINECS: | 219-309-9 | | Product Categories: | Alphabetical Listings;Flavors and Fragrances;Q-Z;C9;Carbonyl Compounds;Ketones | | Mol File: | 2408-37-9.mol |  |
| | 2,2,6-TRIMETHYLCYCLOHEXANONE Chemical Properties |
| Melting point | -31.8°C | | Boiling point | 178-179 °C(lit.) | | density | 0.904 g/mL at 25 °C(lit.) | | FEMA | 3473 | 2,2,6-TRIMETHYLCYCLOHEXANONE | | refractive index | n20/D 1.447(lit.) | | Fp | 125 °F | | storage temp. | Flammables area | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Oil | | Specific Gravity | 0.904 | | color | Colourless | | Odor | at 10.00 % in dipropylene glycol. pungent thujone labdanum honey cistus | | Odor Type | thujonic | | Water Solubility | Slightly miscible with water. | | JECFA Number | 1108 | | BRN | 1905593 | | LogP | 2.41 | | CAS DataBase Reference | 2408-37-9(CAS DataBase Reference) | | EPA Substance Registry System | 2,2,6-Trimethylcyclohexanone (2408-37-9) |
| Risk Statements | 10 | | Safety Statements | 23-24/25 | | RIDADR | UN 1224 3/PG 3 | | WGK Germany | 3 | | TSCA | Yes | | HazardClass | 3 | | PackingGroup | III |
| | 2,2,6-TRIMETHYLCYCLOHEXANONE Usage And Synthesis |
| Chemical Properties | CLEAR COLOURLESS LIQUID | | Occurrence | Reported found in bilberries, passion fruit and tea. Also reported found in apricot, bilberry, white wine, black
tea, green tea, microbial fermented tea, brewed tea, yellow passion fruit juice and dill herb. | | Uses | 2,2,6-Trimethylcyclohexanone is used as a flavoring agent. It is also used to prepare terpene viz. beta-ionone. | | Aroma threshold values | Detection: 100 ppb; recognition: 310 ppb | | Synthesis Reference(s) | Journal of the American Chemical Society, 80, p. 4072, 1958 DOI: 10.1021/ja01548a061
The Journal of Organic Chemistry, 27, p. 1615, 1962 DOI: 10.1021/jo01052a031 | | Purification Methods | Purify it via the semicarbazone (m 218o, from MeOH or EtOH), decompose this in the usual way (cf p 65 and 67, or MEK, p 106) and fractionally distil the liquid ketone through a vigreux column (p 11) at ~760mm. [Chakravarti J Chem Soc 1567 1947, Milas et al. J Am Chem Soc 70 1831 1948, Beilstein 7 I 24, 7 II 32, 7 III 7.] |
| | 2,2,6-TRIMETHYLCYCLOHEXANONE Preparation Products And Raw materials |
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