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| IUPAC name : | 3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol |
| InChI : | InChI=1/C14H28O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h10-13,15H,6-9H2,1-5H3 |
| InChIKey : | HMENPFAAAQWASO-UHFFFAOYAN |
| SMILES : | CC1CCCC(C1CC(C)C(C)O)(C)C |
| cas number : | 60241-53-4 |
| (EINECS) number : | 262-117-5 |
| molar refractivity : | 66.37 ± 0.3 cm3 |
| parachor : | 577.5 ± 4.0 cm3 |
| index of refraction : | 1.443 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.848 ± 0.06 g/cm3 |
| polarizability : | 26.31 ± 0.5 10-24cm3 |
| XlogP : | 5.70 |
| molecular weight : | 212.3715200 |
| formula : | C14 H28 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2906.19.5000 |
| fda reg : | unspecified |
Suppliers :
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| Moellhausen : | madranol
60-70% min. artifical kosher Odor: powerful sandalwood |
| Penta : | methyltetrahydroionol
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| Symrise : | Madranol®
Odor: woody, somewhat cedarwood-like with ionone and ambergris shades |
organoleptics :
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| odor type : | woody |
| odor strength : | medium |
odor description : at 100.00 %. | woody violet |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91000 to 0.92000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.572 to 7.655
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| refractive index : | 1.47000 to 1.48500 @ 20.00 °C.
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| boiling point : | 125.00 °C. @ 3.00 mm Hg
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| boiling point : | 101.00 to 103.00 °C. @ 0.80 mm Hg
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| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 5.20 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Oral-Rat >2000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >2000.00 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 violet propanol usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for violet propanol 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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| WGK Germany : | 2 |
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| | 3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol
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| (EINECS) number : | 262-117-5 |
| chemidplus : | 060241534 |
| EPA Substance Registry Services : | 60241-53-4 |
references :
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| | 3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol
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| pubchem : | 685780 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |