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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-one |
| InChI : | InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3 |
| InChIKey : | JHJCHCSUEGPIGE-UHFFFAOYAE |
| SMILES : | CC1=CCCC(C1CCC(=O)C)(C)C |
| (EINECS) number : | 250-657-4 |
| cas number : | 31499-72-6 |
| beilstein number : | 2088879 |
| fema number : | 3628 |
| coe number : | 11059 |
| jecfa number : | 393 |
| fl. number : | 07.132 |
| molar refractivity : | 59.92 ± 0.3 cm3 |
| parachor : | 504.4 ± 6.0 cm3 |
| index of refraction : | 1.447 ± 0.02 |
| surface tension : | 25.7 ± 3.0 dyne/cm |
| density : | 0.868 ± 0.06 g/cm3 |
| polarizability : | 23.75 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 194.3131800 |
| formula : | C13 H22 O |
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| fda reg : | unspecified |
h. number : | 2914.23.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | warm woody earthy herbal orris violet raspberry |
| taste description³ : | at 2.00 ppm. Berry, floral, woody, seedy with fruity undernotes |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 92.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91800 - 0.92300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.639 to 7.680
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| refractive index : | 1.47300 - 1.48000 @ 20.00 °C.
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| boiling point : | 90.00 °C. @ 0.10 mm Hg
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| logp : | 4.17 |
| 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. ) : | 210.00 °F. TCC ( 98.89 °C. )
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| recommendation for dihydro-alpha-ionone usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for dihydro-alpha-ionone usage levels up to : |
| | 2.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 250-657-4 |
| chemidplus : | 031499726 |
| epa-srs : | 31499-72-6 |
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| other : | |
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| references : | |
| jecfa number : | 393 |
| fl. number : | 07.132 |
| pubchem : | 177433 |
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| reference : | Mosciano, Gerard P&F 17, No. 6, 41, (1992)³ |