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| IUPAC name : | (4-propan-2-ylcyclohexyl)methanol |
| InChI : | InChI=1/C10H20O/c1-8(2)10-5-3-9(7-11)4-6-10/h8-11H,3-7H2,1-2H3 |
| InChIKey : | KHWTYGFHPHRQMP-UHFFFAOYAR |
| SMILES : | CC(C)C1CCC(CC1)CO |
| cas number : | 5502-75-0 |
| % from : | 99.00% to 100.00% |
| fema number : | 4507 |
| molar refractivity : | 47.76 ± 0.3 cm3 |
| parachor : | 411.8 ± 6.0 cm3 |
| index of refraction : | 1.451 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.882 ± 0.06 g/cm3 |
| polarizability : | 18.93 ± 0.5 10-24cm3 |
| XlogP : | 3.50 |
| molecular weight : | 156.2652000 (IUPAC) |
| formula : | C10 H20 O |
| NMR Predictor : | Predict |
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| IUPAC name : | (Z)-(4-propan-2-ylcyclohexyl)methanol |
| InChI : | InChI=1/C10H20O/c1-8(2)10-5-3-9(7-11)4-6-10/h8-11H,3-7H2,1-2H3/t9-,10+ |
| InChIKey : | KHWTYGFHPHRQMP-AOOOYVTPBP |
| SMILES : | CC(C)[C@H]1CC[C@@H](CO)CC1 |
| cas number : | 13828-37-0 |
| % from : | 60.00% to 80.00% |
| (EINECS) number : | 237-539-8 |
| fema number : | 4507 |
| molar refractivity : | 47.76 ± 0.3 cm3 |
| parachor : | 411.8 ± 6.0 cm3 |
| index of refraction : | 1.451 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.882 ± 0.06 g/cm3 |
| polarizability : | 18.93 ± 0.5 10-24cm3 |
| XlogP : | 3.50 |
| molecular weight : | 156.2652000 (IUPAC) |
| formula : | C10 H20 O |
| NMR Predictor : | Predict |
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| IUPAC name : | (E)-(4-propan-2-ylcyclohexyl)methanol |
| InChI : | InChI=1/C10H20O/c1-8(2)10-5-3-9(7-11)4-6-10/h8-11H,3-7H2,1-2H3/t9-,10- |
| InChIKey : | KHWTYGFHPHRQMP-MGCOHNPYBX |
| SMILES : | OC[C@@H]1CC[C@@H](C(C)C)CC1 |
| cas number : | 13674-19-6 |
| % from : | 20.00% to 40.00% |
| fema number : | 4507 |
| molar refractivity : | 47.76 ± 0.3 cm3 |
| parachor : | 411.8 ± 6.0 cm3 |
| index of refraction : | 1.451 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.882 ± 0.06 g/cm3 |
| polarizability : | 18.93 ± 0.5 10-24cm3 |
| XlogP : | 3.50 |
| molecular weight : | 156.2652000 (IUPAC) |
| formula : | C10 H20 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2906.19.0000 |
| fda reg : | unspecified |
Suppliers :
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| Firmenich : | MAYOL®
≥98% Odor: Fresh soft and clean floral odour that recalls the fragrance associated with the white petals and blossoms of many flowers, magnolia, tuberose, muguet, etc. |
| IFF : | Meijiff™
≥98% (sum of isomers) Odor: Floral, muguet. Useful where a stable muguet note is required. |
| Moellhausen : | mayol
artifical kosher |
| Vigon : | Mayol
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organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description :¹ at 100.00 %. | fresh clean floral magnolia hydroxycitronellal cumin grassy |
| odor sample from : | Firmenich & Company Inc. |
| substantivity : | 72 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91200 to 0.92000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.589 to 7.655
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| refractive index : | 1.46700 to 1.47100 @ 20.00 °C.
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| acid value : | 1.00 max. KOH/g
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| flash point : | 201.00 °F. TCC ( 93.89 °C. )
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| logP (o/w) : | 3.24 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37 - Wear suitable protective clothing and gloves.
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| Human experience : | skin sensitizer |
| 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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| recommendation for muguet shiseol usage levels up to : |
| | 20.0000 % in the fragrance concentrate.
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| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link. |
| publication number : 24 |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | 0.50000 | 2.50000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | 1.00000 | 5.00000 |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 1.00000 | 5.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
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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| | (4-propan-2-ylcyclohexyl)methanol
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| chemidplus : | 013828370 |
| EPA Substance Registry Services : | 5502-75-0 |
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| | (Z)-(4-propan-2-ylcyclohexyl)methanol
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| (EINECS) number : | 237-539-8 |
| chemidplus : | 013828370 |
| EPA Substance Registry Services : | 13828-37-0 |
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| | (E)-(4-propan-2-ylcyclohexyl)methanol
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| chemidplus : | 13674-19-6 |
| EPA Substance Registry Services : | 13674-19-6 |
references :
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| | (4-propan-2-ylcyclohexyl)methanol
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| NIST Chemistry WebBook : | 5502750 |
| pubchem : | 44415430 |
| | (Z)-(4-propan-2-ylcyclohexyl)methanol
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| pubchem : | 660674 |
| | (E)-(4-propan-2-ylcyclohexyl)methanol
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| pubchem : | 10376126 |
Cosmetics :
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| Cosmetic uses : |
masking agents
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1995)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |