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| IUPAC name : | 2-methyl-1-(4-methylphenyl)propan-2-ol |
| InChI : | InChI=1/C11H16O/c1-9-4-6-10(7-5-9)8-11(2,3)12/h4-7,12H,8H2,1-3H3 |
| InChIKey : | LABNAHQUILHURR-UHFFFAOYAT |
| SMILES : | CC1=CC=C(C=C1)CC(C)(C)O |
| cas number : | 20834-59-7 |
| (EINECS) number : | 244-072-3 |
| molar refractivity : | 51.39 ± 0.3 cm3 |
| parachor : | 412.9 ± 4.0 cm3 |
| index of refraction : | 1.519 ± 0.02 |
| surface tension : | 35.5 ± 3.0 dyne/cm |
| density : | 0.971 ± 0.06 g/cm3 |
| polarizability : | 20.37 ± 0.5 10-24cm3 |
| XlogP : | 2.70 |
| molecular weight : | 164.2441400 |
| formula : | C11 H16 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Penta : | para-methyl dimethyl benzyl carbinol
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organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description :¹ at 100.00 %. | floral green cumin muguet |
| odor sample from : | International Flavors & Fragrances Inc. |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95400 to 0.96200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.938 to 8.005
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| specific gravity : | 0.95500 to 0.96300 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.956 to 8.022
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| refractive index : | 1.51000 to 1.51600 @ 20.00 °C.
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| boiling point : | 240.00 to 241.00 °C. @ 760.00 mm Hg
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 2.52 |
safety :
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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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| recommendation for cumin carbinol usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for cumin carbinol usage levels up to : |
| | not for flavor use.
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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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| | 2-methyl-1-(4-methylphenyl)propan-2-ol
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| (EINECS) number : | 244-072-3 |
| chemidplus : | 020834597 |
| EPA Substance Registry Services : | 20834-59-7 |
references :
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| | 2-methyl-1-(4-methylphenyl)propan-2-ol
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| pubchem : | 665513 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1989)¹ |
| CosIng : | cosmetic data |