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| IUPAC name : | 2-(3-methylbutoxy)ethylbenzene |
| InChI : | InChI=1/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3 |
| InChIKey : | BHQBQWOZHYUVTL-UHFFFAOYAL |
| SMILES : | CC(C)CCOCCC1=CC=CC=C1 |
| cas number : | 56011-02-0 |
| (EINECS) number : | 259-943-3 |
| beilstein number : | 2250579 |
| fema number : | 4635 |
| molar refractivity : | 60.67 ± 0.3 cm3 |
| parachor : | 499.8 ± 4.0 cm3 |
| index of refraction : | 1.485 ± 0.02 |
| surface tension : | 31.1 ± 3.0 dyne/cm |
| density : | 0.909 ± 0.06 g/cm3 |
| polarizability : | 24.05 ± 0.5 10-24cm3 |
| XlogP : | 3.70 |
| XlogP3-AA : | 3.70 |
| molecular weight : | 192.2973000 (IUPAC) |
| formula : | C13 H20 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2909.30.2000 |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Anther
Odor: Green, Fresh, Floral, Hyacinth |
| John D. Walsh : | Anther
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| Moellhausen : | antherex
99% min. nature identical kosher Odor: aromatic, floral (hyacint, slightly rose), chocolate |
| Penta : | phenylethyl isoamyl ether
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| Vigon : | ANTHER
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organoleptics :
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| odor type : | green |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | fresh green metallic spring hyacinth cool leafy |
| odor sample from : | PPF Norda, Inc |
| substantivity : | 32 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89900 to 0.90200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.481 to 7.506
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| refractive index : | 1.47700 to 1.48500 @ 20.00 °C.
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| boiling point : | 109.00 to 110.00 °C. @ 8.00 mm Hg
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| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 4.08 |
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 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg Food and Chemical Toxicology. Vol. 21, Pg. 873, 1983.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg Food and Chemical Toxicology. Vol. 21, Pg. 873, 1983.
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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 green ether usage levels up to : |
| | 5.0000 % 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) : | 0.50000 | 2.50000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 1.00000 | 5.00000 |
| condiments / relishes : | - | - |
| 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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| | 2-(3-methylbutoxy)ethylbenzene
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| (EINECS) number : | 259-943-3 |
| chemidplus : | 056011020 |
| EPA Substance Registry Services : | 56011-02-0 |
references :
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| | 2-(3-methylbutoxy)ethylbenzene
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| NIST Chemistry WebBook : | 56011020 |
| pubchem : | 668786 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1985)¹ |
| CosIng : | cosmetic data |