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| IUPAC name : | 4,4,6-trimethyloxan-2-one |
| InChI : | InChI=1/C8H14O2/c1-6-4-8(2,3)5-7(9)10-6/h6H,4-5H2,1-3H3 |
| InChIKey : | ANAWSOIMWQHBPG-UHFFFAOYAB |
| SMILES : | CC1CC(CC(=O)O1)(C)C |
| cas number : | 71566-51-3 |
| molar refractivity : | 38.82 ± 0.3 cm3 |
| parachor : | 340.5 ± 6.0 cm3 |
| index of refraction : | 1.423 ± 0.02 |
| surface tension : | 24.9 ± 3.0 dyne/cm |
| density : | 0.933 ± 0.06 g/cm3 |
| polarizability : | 15.39 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 142.1955600 |
| formula : | C8 H14 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | bitter walnut saffron citrus herbal hot |
| substantivity : | 100 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98100 @ 25.00 °C.
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| refractive index : | 1.44600 - 1.45000 @ 20.00 °C.
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| boiling point : | 90.00 - 92.00 °C. @ 4.00 mm Hg
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| logp : | 1.33 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Mouse 0.80 gm/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for saffron pyranone usage levels up to : | | | 4.0000 % in the fragrance concentrate.
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| recommendation for saffron pyranone usage levels up to : | | | not for flavor use.
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| safety links : | |
| chemidplus : | 071566513 |
| epa-srs : | 71566-51-3 |
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| other : | |
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| references : | |
| pubchem : | 750253 |
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| synonyms : |
| | saffron pyranone | | | tetrahydro-4,4,6(or 4,6,6)-trimethyl-2H-pyran-2-one | | 4,6,6(4,4,6)- | trimethyl tetrahydropyran-2-one | | | trivalon |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| stability : |
| | most media |
| (odor and/or flavor) used in : |
| | chypre | | | citrus | | | fern fougere | | | herbal | | | lavender | | | nut walnut | | | saffron | | | woody |
| natural occurrence in : |
| not found in nature |
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