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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: at 100.00 %. | floral lily of the valley green tropical Luebke, William tgsc, (1996) |
| 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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| Category : | fragrance agents |
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| IFRA critical Effect : | Sensitization |
| Fragrance usage is IFRA RESTRICTED to : |
| Please review all IFRA documents for complete information. (QRA) |
| IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
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Category 1 : See Note (1) | 0.28 % (1) | Category 2 : | 0.36 % |
| Category 3 : | 1.50 % | Category 4 : | 4.50 % |
| Category 5 : | 2.40 % | Category 6 : See Note (1) | 7.20 % (1) |
| Category 7 : | 0.80 % | Category 8 : | 2.00 % |
| Category 9 : | 5.00 % | Category 10 : | 2.50 % |
| Category 11 : | See Note (2) |
| | Notes : |
| | (1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org). |
| | (2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product. |
| recommendation for lily propanol flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : 2,2-Dimethyl-3-(3-tolyl)propan-1-ol (Majantol) ) |
| 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 |
| (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 |
| pubchem : | 753147 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| RIFM : | listed |
| FMA : | listed |