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| IUPAC name : | 2,2-dimethyl-3-(3-methylphenyl)propan-1-ol |
| InChI : | InChI=1/C12H18O/c1-10-5-4-6-11(7-10)8-12(2,3)9-13/h4-7,13H,8-9H2,1-3H3 |
| InChIKey : | FYMOBFDUZIDKMI-UHFFFAOYAH |
| SMILES : | CC1=CC(=CC=C1)CC(C)(C)CO |
| cas number : | 103694-68-4 |
| (EINECS) number : | 403-140-4 |
| molar refractivity : | 56.02 ± 0.3 cm3 |
| parachor : | 452.6 ± 4.0 cm3 |
| index of refraction : | 1.515 ± 0.02 |
| surface tension : | 35.3 ± 3.0 dyne/cm |
| density : | 0.960 ± 0.06 g/cm3 |
| polarizability : | 22.21 ± 0.5 10-24cm3 |
| XlogP : | 2.90 |
| molecular weight : | 178.2707200 (IUPAC) |
| formula : | C12 H18 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Moellhausen : | majantol
98% min. nature identical kosher Odor: fresh, soft, intensely floral fragrance, lilies, slightly green and fruity top-note |
| Penta : | 2,2-dimethyl-3-(3-methylphenyl) propanol
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| Symrise : | Majantol®
Odor: fresh, soft, intensely floral, reminiscent of lilies of the valley |
| Vigon : | Majantol
Odor: FRESH, SOFT, INTENSELY FLORAL ODOR, REMINISCENT OF LILIES OF THE VALLEY. |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description :¹ at 100.00 %. | floral lily of the valley green tropical |
| odor sample from : | Fragrance Resources Inc. |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95500 to 0.96500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.947 to 8.030
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| refractive index : | 1.51150 to 1.52150 @ 20.00 °C.
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| melting point : | 22.00 °C. @ 760.00 mm Hg
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| boiling point : | 275.00 to 276.00 °C. @ 760.00 mm Hg
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| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 3.04 |
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 20/21 - When using do not eat, drink or smoke. 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 36 - Wear suitable protective clothing.
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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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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 lily propanol usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for lily 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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| | 2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
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| (EINECS) number : | 403-140-4 |
| chemidplus : | 103694684 |
| EPA Substance Registry Services : | 103694-68-4 |
references :
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| | 2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
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| pubchem : | 753147 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1996)¹ |
| CosIng : | cosmetic data |