3,5,5-Trimethylcyclohexane-1,2-dione
- Product Name3,5,5-Trimethylcyclohexane-1,2-dione
- CAS4883-60-7
- CBNumberCB5214286
- MFC9H14O2
- MW154.21
- EINECS610-435-3
- MDL NumberMFCD02181023
- MOL File4883-60-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 89-90°C |
| Boiling point | 100°C/13mmHg(lit.) |
| Density | 1.044±0.06 g/cm3(Predicted) |
| FEMA | 3459 | 2-HYDROXY-3,5,5-TRIMETHYL-2-CYCLOHEXENONE |
| FLAVIS Number | 07.120 | 2-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-one |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| pka | 9.15±0.40(Predicted) |
| color | White to Almost white |
| Odor | at 10.00 % in dipropylene glycol. phenolic woody dry nutty tobacco spicy clean powdery |
| Odor Type | woody |
| JECFA Number | 426 |
| BRN | 1932034 |
| InChI | InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H3 |
| InChIKey | DWGZTTFGUFHAJX-UHFFFAOYSA-N |
| SMILES | C1(=O)CC(C)(C)CC(C)=C1O |
| LogP | 1.84 |
| Substances Added to Food (formerly EAFUS) | 2-HYDROXY-3,5,5-TRIMETHYL-2-CYCLOHEXENONE |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 2914.29.5000 | |||||||||
| NFPA 704: |
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