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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| InChI : | InChI=1/C12H22O/c1-9(2)7-8-12(5,6)11(13)10(3)4/h7,10H,8H2,1-6H3 |
| InChIKey : | CTLDWNVYXLHMAS-UHFFFAOYAF |
| SMILES : | CC(C)C(=O)C(C)(C)CC=C(C)C |
| eu annex : | 606-088-00-2 |
| cas number : | 74338-72-0 |
| molar refractivity : | 57.49 ± 0.3 cm3 |
| parachor : | 490.5 ± 4.0 cm3 |
| index of refraction : | 1.441 ± 0.02 |
| surface tension : | 25.8 ± 3.0 dyne/cm |
| density : | 0.837 ± 0.06 g/cm3 |
| polarizability : | 22.79 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 182.3024800 |
| formula : | C12 H22 O |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| substantivity : | 28 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84400 - 0.84800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.023 to 7.056
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| refractive index : | 1.44400 - 1.45000 @ 20.00 °C.
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| boiling point : | 238.00 - 239.00 °C. @ 760.00 mm Hg
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| logp : | 3.67 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 174.00 °F. TCC ( 78.89 °C. )
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| recommendation for clary octenone usage levels up to : |
| | not for flavor use.
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| safety links : | |
| chemidplus : | 74338-72-0 |
| epa-srs : | 74338-72-0 |
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| other : | |
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| references : | |
| pubchem : | 44851399 |
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