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| IUPAC Name: | 2,6,6-trimethylcyclohex-2-ene-1,4-dione |
| Description: | 2,6,6-Trimethyl-2-cyclohexene-1,4-dione (CAS# 1125-21-9) is one of the major components of saffron (Crocus sativus L.) and also found to be a product of degradation of carotenoids in paprika, tomato and marigold oleoresins. |
| Molecular Weight: | 152.19 |
| Molecular Formula: | C9H12O2 |
| Canonical SMILES: | CC1=CC(=O)CC(C1=O)(C)C |
| InChI: | InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3 |
| InChI Key: | AYJXHIDNNLJQDT-UHFFFAOYSA-N |
| Boiling Point: | 92-94 °C (11 mmHg) |
| Melting Point: | 26-28 °C |
| Flash Point: | 94°C |
| Purity: | 95 % |
| Density: | 1.03 g/cm3 |
| Solubility: | water, 1839 mg/L @ 25 °C (est) |
| Appearance: | Clear yellow to orange liquid or low melting solid |
| Storage: | Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. |
| MDL: | MFCD00043119 |
| LogP: | 1.50080 |
| Refractive Index: | 1.4921 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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