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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 |
| (EINECS) number : | 201-991-4 |
| cas number : | 90-42-6 |
| 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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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | cyclamen sweet herbal cumin mint woody orris ozone |
| substantivity : | 44 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97100 - 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 - 1.49000 @ 20.00 °C.
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| boiling point : | 264.00 - 265.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| logp : | 3.81 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >7800.00 mg/kg
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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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 links : | |
| (EINECS) number : | 201-991-4 |
| chemidplus : | 000090426 |
| epa-srs : | 90-42-6 |
| dtp/nci : | 22249 |
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| other : | |
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| references : | |
| pubchem : | 150036 |
| NIST Chemistry WebBook : | 3651415600 |
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