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| IUPAC name : | 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-methylpropanoate |
| InChI : | InChI=1/C10H15NO2S/c1-7(2)10(12)13-5-4-9-8(3)14-6-11-9/h6-7H,4-5H2,1-3H3 |
| InChIKey : | KMEDDQQKAPHCLF-UHFFFAOYAT |
| SMILES : | CC1=C(N=CS1)CCOC(=O)C(C)C |
| (EINECS) number : | 301-437-2 |
| cas number : | 94021-42-8 |
| fema number : | 4278 |
| jecfa number : | 1754 |
| molar refractivity : | 57.36 ± 0.3 cm3 |
| parachor : | 480.0 ± 4.0 cm3 |
| index of refraction : | 1.512 ± 0.02 |
| surface tension : | 39.8 ± 3.0 dyne/cm |
| density : | 1.116 ± 0.06 g/cm3 |
| polarizability : | 22.74 ± 0.5 10-24cm3 |
| xlogp : | 1.40 |
| molecular weight : | 213.2966000 |
| formula : | C10 H15 N O2 S |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | roasted nutty |
| properties : | |
| appearence : | colorless to yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.10200 - 1.10800 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.170 to 9.220
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| refractive index : | 1.49400 - 1.50000 @ 20.00 °C.
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| boiling point : | 100.00 - 104.00 °C. @ 2.00 mm Hg
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| boiling point : | 300.00 - 301.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 1.86 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 276.00 °F. TCC ( 135.56 °C. )
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| recommendation for sulfuryl isobutyrate usage levels up to : |
| | not for fragrance use.
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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). |
| publication number : 23. |
| 4278 | average usual ppm | average maximum ppm |
| baked goods : | 5.00000 | 30.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | 0.10000 | 0.16000 |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | 10.00000 | 42.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | - | - |
| 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 : | 0.10000 | 0.15000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 301-437-2 |
| chemidplus : | 094021428 |
| epa-srs : | 94021-42-8 |
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| other : | |
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| references : | |
| jecfa number : | 1754 |
| pubchem : | 3795867 |
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