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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 5-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one |
| InChI : | InChI=1/C12H20O/c1-6-12(5)9(3)8(2)7-11(13)10(12)4/h7,9-10H,6H2,1-5H3 |
| InChIKey : | NWRKGLAPSUFTME-UHFFFAOYAB |
| SMILES : | CCC1(C(C(=CC(=O)C1C)C)C)C |
| (EINECS) number : | 241-404-9 |
| cas number : | 17369-61-8 |
| fema number : | 3061 |
| coe number : | 168 |
| jecfa number : | 1111 |
| molar refractivity : | 55.46 ± 0.3 cm3 |
| parachor : | 462.3 ± 6.0 cm3 |
| index of refraction : | 1.440 ± 0.02 |
| surface tension : | 23.4 ± 3.0 dyne/cm |
| density : | 0.857 ± 0.06 g/cm3 |
| polarizability : | 21.98 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 180.2866000 |
| formula : | C12 H20 O |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | caramellic |
| odor strength : | medium |
odor description :
at 100.00 %. | warm caramel fruity spicy |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| boiling point : | 242.00 - 243.00 °C. @ 760.00 mm Hg
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| logp : | 3.59 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 213.00 °F. TCC ( 100.56 °C. )
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| recommendation for 5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for 5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 241-404-9 |
| chemidplus : | 017369618 |
| epa-srs : | 17369-61-8 |
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| other : | |
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| references : | |
| jecfa number : | 1111 |
| pubchem : | 663410 |
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