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| IUPAC name : | 2-cyclohexylcyclohexan-1-one |
| InChI : | InChI=1/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2 |
| InChIKey : | UOBQDYFTAJKQAL-UHFFFAOYAT |
| SMILES : | C1CCC(CC1)C2CCCCC2=O |
| cas number : | 90-42-6 |
| (EINECS) number : | 201-991-4 |
| beilstein number : | 1865785 |
| molar refractivity : | 53.51 ± 0.3 cm3 |
| parachor : | 452.7 ± 6.0 cm3 |
| index of refraction : | 1.496 ± 0.02 |
| surface tension : | 37.4 ± 3.0 dyne/cm |
| density : | 0.984 ± 0.06 g/cm3 |
| polarizability : | 21.21 ± 0.5 10-24cm3 |
| XlogP : | 3.70 |
| molecular weight : | 180.2866000 |
| formula : | C12 H20 O |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Penta : | 2-cyclohexyl cylcohexanone
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organoleptics :
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| odor type : | herbal |
| odor strength : | medium |
odor description :¹ at 100.00 %. | cyclamen sweet herbal cumin mint woody orris ozone |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 44 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid to solid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97100 to 0.97700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.080 to 8.130
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| refractive index : | 1.48500 to 1.49000 @ 20.00 °C.
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| boiling point : | 264.00 to 265.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 3.81 |
safety :
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| Oral Toxicity(LD50) : |
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Oral-Rat 5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >7800.00 mg/kg
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for 2-cyclohexyl cyclohexanone usage levels up to : |
| | not for fragrance use.
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| recommendation for 2-cyclohexyl cyclohexanone usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 2-cyclohexylcyclohexan-1-one
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| (EINECS) number : | 201-991-4 |
| chemidplus : | 000090426 |
| EPA Substance Registry Services : | 90-42-6 |
| dtp/nci : | 22249 |
references :
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| | 2-cyclohexylcyclohexan-1-one
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| NIST Chemistry WebBook : | 3651415600 |
| pubchem : | 150036 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1988)¹ |
| CosIng : | cosmetic data |