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| IUPAC name : | 4-propan-2-ylcyclohexan-1-ol |
| InChI : | InChI=1/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3 |
| InChIKey : | DKKRDMLKVSKFMJ-UHFFFAOYAK |
| SMILES : | CC(C)C1CCC(CC1)O |
| (EINECS) number : | 225-035-0 |
| cas number : | 4621-04-9 |
| beilstein number : | 2322224 |
| fl. number : | 02.169 |
| molar refractivity : | 43.12 ± 0.3 cm3 |
| parachor : | 371.7 ± 6.0 cm3 |
| index of refraction : | 1.466 ± 0.02 |
| surface tension : | 32.6 ± 3.0 dyne/cm |
| density : | 0.914 ± 0.06 g/cm3 |
| polarizability : | 17.09 ± 0.5 10-24cm3 |
| xlogp : | 2.90 |
| molecular weight : | 142.2386200 |
| formula : | C9 H18 O |
| BioActivity Analysis : | 68950 |
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| export tariff code : | 2906.19.0000 |
| fda reg : | unspecified |
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Suppliers :
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| International Flavors & Fragrances : | Apo Patchone |
| | ≥97% (sum of isomers) |
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organoleptics :
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| odor type : | leathery |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | leather red rose green dusty weedy metallic |
| substantivity : | 12 hour(s) at 100.00 % |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91200 - 0.92000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.589 to 7.655
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| specific gravity : | 0.91300 - 0.92100 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.606 to 7.673
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| refractive index : | 1.46300 - 1.46900 @ 20.00 °C.
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| boiling point : | 202.00 - 203.00 °C. @ 760.00 mm Hg
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| logp : | 2.71 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 2750.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg
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| flash point ( Deg. F. ) : | 194.00 °F. TCC ( 90.00 °C. )
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| recommendation for leather cyclohexanol usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for leather cyclohexanol usage levels up to : |
| | not for flavor use.
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safety links :
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| (EINECS) number : | 225-035-0 |
| chemidplus : | 004621049 |
| epa-srs : | 4621-04-9 |
| dtp/nci : | 2267 |
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other :
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references :
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| fl. number : | 02.169 |
| pubchem : | 163541 |
| NIST Chemistry WebBook : | 4184211405 |
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