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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (E)-2-methyl-1-(2,2,6-trimethyl-1-cyclohex-3-enyl)pent-1-en-3-one |
| InChI : | InChI=1/C15H24O/c1-6-14(16)12(3)10-13-11(2)8-7-9-15(13,4)5/h7,9-11,13H,6,8H2,1-5H3 |
| InChIKey : | VWXJSOKBCDRKAL-ZRDIBKRKBK |
| SMILES : | CCC(=O)/C(=C/C1C(CC=CC1(C)C)C)/C |
| (EINECS) number : | 271-463-6 |
| cas number : | 68555-94-2 |
| molar refractivity : | 70.82 ± 0.3 cm3 |
| parachor : | 567.3 ± 4.0 cm3 |
| index of refraction : | 1.500 ± 0.02 |
| surface tension : | 30.9 ± 3.0 dyne/cm |
| density : | 0.916 ± 0.06 g/cm3 |
| polarizability : | 28.07 ± 0.5 10-24cm3 |
| xlogp : | 4.60 |
| molecular weight : | 220.3504600 |
| formula : | C15 H24 O |
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| fda reg : | unspecified |
h. number : | 2914.23.0000 |
| organoleptics : | |
| odor type : | powdery |
| odor strength : | medium |
odor description :
at 100.00 %. | woody orris violet |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 80.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92000 - 0.93000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.655 to 7.739
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| refractive index : | 1.49500 - 1.50500 @ 20.00 °C.
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| boiling point : | 244.00 - 245.00 °C. @ 760.00 mm Hg
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| logp : | 4.68 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 220.00 °F. TCC ( 104.44 °C. )
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| IFRA other specification : | <= 2% Pseudomethylionone |
| recommendation for dimethyl ionone usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for dimethyl ionone usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 271-463-6 |
| chemidplus : | 068555942 |
| epa-srs : | 68555-94-2 |
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| other : | |
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| references : | |
| pubchem : | 686819 |
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