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| IUPAC name : | ethyl 2-hydroxy-3-methylpentanoate |
| InChI : | InChI=1/C8H16O3/c1-4-6(3)7(9)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3 |
| InChIKey : | TXLBCYISDOYPIH-UHFFFAOYAW |
| SMILES : | CC(CC)C(O)C(=O)OCC |
| cas number : | 24323-38-4 |
| fema number : | 4269 |
| jecfa number : | 1652 |
| molar refractivity : | 42.33 ± 0.3 cm3 |
| parachor : | 386.6 ± 4.0 cm3 |
| index of refraction : | 1.434 ± 0.02 |
| surface tension : | 32.1 ± 3.0 dyne/cm |
| density : | 0.986 ± 0.06 g/cm3 |
| polarizability : | 16.78 ± 0.5 10-24cm3 |
| molecular weight : | 160.2108400 (IUPAC) |
| formula : | C8 H16 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description:
at 10.00 % in dipropylene glycol. | fruity berry |
properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92200 to 0.93000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.672 to 7.739
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| refractive index : | 1.42200 to 1.42900 @ 20.00 °C.
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| boiling point : | 204.00 to 206.00 °C. @ 760.00 mm Hg
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| flash point : | 165.00 °F. TCC ( 73.89 °C. )
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| logP (o/w) : | 1.22 |
safety :
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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 ethyl 2-hydroxy-3-methyl valerate fragrance usage levels up to : |
| | 3.0000 % 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 : 23 |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | 10.00000 | 25.00000 |
| beverages(alcoholic) : | 10.00000 | 25.00000 |
| breakfast cereal : | 10.00000 | 30.00000 |
| cheese : | - | - |
| chewing gum : | 20.00000 | 100.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 5.00000 | 20.00000 |
| fruit ices : | 5.00000 | 20.00000 |
| gelatins / puddings : | 10.00000 | 25.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 20.00000 | 50.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | 10.00000 | 25.00000 |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | 5.00000 | 20.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | 10.00000 | 25.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
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| |
ethyl 2-hydroxy-3-methylpentanoate |
| chemidplus : | 24323-38-4 |
| EPA Substance Registry Services : | 24323-38-4 |
references :
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| Leffingwell : | chirality |
| |
ethyl 2-hydroxy-3-methylpentanoate |
| jecfa number : | 1652 |
| NIST Chemistry WebBook : | 24323384 |
| pubchem : | 24323-38-4 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |