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| IUPAC name : | (3,3,5-trimethylcyclohexyl) acetate |
| InChI : | InChI=1/C11H20O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3 |
| InChIKey : | OIVWFAFCHQDCCG-UHFFFAOYAI |
| SMILES : | CC1CC(CC(C1)(C)C)OC(=O)C |
| cas number : | 67859-96-5 |
| (EINECS) number : | 267-430-0 |
| fema number : | 4512 |
| molar refractivity : | 52.74 ± 0.4 cm3 |
| parachor : | 458.7 ± 6.0 cm3 |
| index of refraction : | 1.448 ± 0.03 |
| surface tension : | 29.5 ± 5.0 dyne/cm |
| density : | 0.93 ± 0.1 g/cm3 |
| polarizability : | 20.91 ± 0.5 10-24cm3 |
| XlogP : | 3.70 |
| molecular weight : | 184.2753000 (IUPAC) |
| formula : | C11 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9500 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | HOMOMENTHYL ACETATE
≥95.0% (sum of isomers), Kosher Odor: minty herbaceous |
| Inoue : | 3,3,5-TRIMETHYLCYCLOHEXYL ACETATE
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| Penta : | homomenthyl acetate
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| Symrise : | Mintonat
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| Vigon : | Mintonat
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organoleptics :
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| odor type : | minty |
| odor strength : | medium |
odor description : at 100.00 %. | mint herbal lavandin sweet |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91300 to 0.92300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.597 to 7.680
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| refractive index : | 1.43500 to 1.44600 @ 20.00 °C.
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| boiling point : | 83.00 °C. @ 2.00 mm Hg
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| boiling point : | 209.00 to 210.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.19900 mm/Hg @ 25.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 170.00 °F. TCC ( 76.67 °C. )
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| logP (o/w) : | 3.76 |
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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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 homomenthyl acetate usage levels up to : |
| | 6.0000 % 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) : | 0.20000 | 1.00000 |
| beverages(alcoholic) : | 0.20000 | 1.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 5.00000 | 25.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 5.00000 | 25.00000 |
| 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 : | 5.00000 | 25.00000 |
| 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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| | (3,3,5-trimethylcyclohexyl) acetate
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| (EINECS) number : | 267-430-0 |
| chemidplus : | 067859965 |
| EPA Substance Registry Services : | 67859-96-5 |
references :
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| | (3,3,5-trimethylcyclohexyl) acetate
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| pubchem : | 684123 |
other :
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