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| IUPAC name : | 1-(3,3-dimethylcyclohexyl)ethanone |
| InChI : | InChI=1/C10H18O/c1-8(11)9-5-4-6-10(2,3)7-9/h9H,4-7H2,1-3H3 |
| InChIKey : | DXIWBWIDAYBUDF-UHFFFAOYAG |
| SMILES : | CC(=O)C1CCCC(C1)(C)C |
| (EINECS) number : | 246-799-1 |
| cas number : | 25304-14-7 |
| fl. number : | 07.246 |
| molar refractivity : | 46.19 ± 0.3 cm3 |
| parachor : | 400.3 ± 6.0 cm3 |
| index of refraction : | 1.437 ± 0.02 |
| surface tension : | 26.7 ± 3.0 dyne/cm |
| density : | 0.875 ± 0.06 g/cm3 |
| polarizability : | 18.31 ± 0.5 10-24cm3 |
| xlogp : | 3.20 |
| molecular weight : | 154.2493200 |
| formula : | C10 H18 O |
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| export tariff code : | 2914.29.0000 |
| fda reg : | unspecified |
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Suppliers :
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| International Flavors & Fragrances : | Herbac |
| | ≥95% (sum of isomers) |
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organoleptics :
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| odor type : | thujonic |
| odor strength : | medium |
odor description : at 100.00 %. | woody herbal cedarleaf thujone |
| substantivity : | 12 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89400 - 0.90200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.439 to 7.506
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| specific gravity : | 8.95000 - 9.03000 @ 20.00 °C.
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| pounds per gallon - calc. : | 74.560 to 75.226
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| refractive index : | 1.45000 - 1.45500 @ 20.00 °C.
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| logp : | 2.94 |
safety :
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| 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. ) : | 158.00 °F. TCC ( 70.00 °C. )
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| recommendation for woody ketone usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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safety links :
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| (EINECS) number : | 246-799-1 |
| chemidplus : | 025304147 |
| epa-srs : | 25304-14-7 |
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other :
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references :
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| fl. number : | 07.246 |
| pubchem : | 668124 |
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