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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 |
| cas number : | 25304-14-7 |
| (EINECS) number : | 246-799-1 |
| 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 (IUPAC) |
| formula : | C10 H18 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.29.0000 |
| fda reg : | unspecified |
Suppliers :
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| IFF : | Herbac
≥95% (sum of isomers) Odor: Herbal, Woody, Minty Powerful, woody, herbal, cedar leaf, thujone complex. Camphor, earthy, eucalyptus, wet, minty. |
| John D. Walsh : | Herbac
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| Penta : | 3,3-dimethylcyclohexylmethyl ketone
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organoleptics :
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| odor type : | thujonic |
| odor strength : | medium |
odor description: at 100.00 %. | woody herbal cedarleaf thujone minty Luebke, William tgsc, (1989) |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 12 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89400 to 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 to 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 to 1.45500 @ 20.00 °C.
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| flash point : | 158.00 °F. TCC ( 70.00 °C. )
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| logP (o/w) : | 2.94 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
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| recommendation for woody ketone fragrance usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 1-(3,3-dimethylcyclohexyl)ethanone |
| (EINECS) number : | 246-799-1 |
| chemidplus : | 025304147 |
| EPA Substance Registry Services : | 25304-14-7 |
references :
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| | 1-(3,3-dimethylcyclohexyl)ethanone |
| fl. number : | 07.246 |
| pubchem : | 668124 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |