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| | 3,5-Dimethyl-1,2-cyclopentanedione Basic information |
| Product Name: | 3,5-Dimethyl-1,2-cyclopentanedione | | Synonyms: | 2-Cyclopentanedione,3,5-dimethyl-1;3,5-dimethyl-2-cyclopentanedione;CORONOL;FEMA 3269;3,5-DIMETHYL-2-HYDROXY-2-CYCLOPENTENYL-1-ONE;3,5-DIMETHYL-1,2-CYCLOPENTADIONE;3,5-DIMETHYL-1,2-CYCLOPENTANEDIONE;3,5-dimethylcyclopentane-1,2-dione | | CAS: | 13494-07-0 | | MF: | C7H10O2 | | MW: | 126.15 | | EINECS: | 236-811-3 | | Product Categories: | Alphabetical Listings;C-D;Flavors and Fragrances | | Mol File: | 13494-07-0.mol |  |
| | 3,5-Dimethyl-1,2-cyclopentanedione Chemical Properties |
| Melting point | 87-95 °C(lit.) | | Boiling point | 187.4±9.0 °C(Predicted) | | density | 1.036±0.06 g/cm3(Predicted) | | FEMA | 3269 | 3,5-DIMETHYL-1,2-CYCLOPENTADIONE | | storage temp. | 2-8°C | | Odor | at 1.00 % in propylene glycol. caramellic burnt sugar brown maple toffee molasses whiskey nutty coffee | | Appearance | White to off-white Solid | | biological source | synthetic | | Odor Type | caramellic | | JECFA Number | 421 | | Major Application | flavors and fragrances | | InChI | InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3 | | InChIKey | MIDXCONKKJTLDX-UHFFFAOYSA-N | | SMILES | C1(=O)C(C)CC(C)C1=O | | LogP | 0.53 | | NIST Chemistry Reference | 1,2-Cyclopentanedione, 3,5-dimethyl-(13494-07-0) | | EPA Substance Registry System | 1,2-Cyclopentanedione, 3,5-dimethyl- (13494-07-0) |
| WGK Germany | 3 | | TSCA | TSCA listed | | Storage Class | 11 - Combustible Solids |
| | 3,5-Dimethyl-1,2-cyclopentanedione Usage And Synthesis |
| Chemical Properties | white to pale yellow crystalline powder | | Occurrence | Reported found as a volatile constituent in coffee aroma and cooked pork. | | Uses | flavors and fragrances | | Preparation | By direct alkylation of the methyl ester of the commercially available 3-methylcyclo-pent-2-en-2-ol-1-one, followed by
the cleavage of the ether function. | | Aroma threshold values | Detection: 1 ppm | | Taste threshold values | Taste characteristics at 10 ppm: brown, sweet, sugary, maple, caramellic |
| | 3,5-Dimethyl-1,2-cyclopentanedione Preparation Products And Raw materials |
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