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| IUPAC name : | 3-methylsulfanylpropyl butanoate |
| InChI : | InChI=1/C8H16O2S/c1-3-5-8(9)10-6-4-7-11-2/h3-7H2,1-2H3 |
| InChIKey : | HSCZLQOPSGMKTK-UHFFFAOYAQ |
| SMILES : | CCCC(=O)OCCCSC |
| (EINECS) number : | 240-680-8 |
| cas number : | 16630-60-7 |
| fema number : | 4160 |
| jecfa number : | 1668 |
| fl. number : | 12.185 |
| molar refractivity : | 48.88 ± 0.3 cm3 |
| parachor : | 425.8 ± 4.0 cm3 |
| index of refraction : | 1.461 ± 0.02 |
| surface tension : | 32.7 ± 3.0 dyne/cm |
| density : | 0.990 ± 0.06 g/cm3 |
| polarizability : | 19.37 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 176.2764400 |
| formula : | C8 H16 O2 S |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
odor description :
| sulfurous cabbage |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99500 - 1.00100 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.279 to 8.329
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| refractive index : | 1.45800 - 1.46300 @ 20.00 °C.
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| boiling point : | 231.00 - 232.00 °C. @ 760.00 mm Hg
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| logp : | 2.36 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 216.00 °F. TCC ( 102.22 °C. )
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| recommendation for methionyl butyrate 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 : 22. |
| 4160 | average usual ppm | average maximum ppm |
| baked goods : | 2.00000 | 5.00000 |
| beverages(nonalcoholic) : | 1.00000 | 3.00000 |
| beverages(alcoholic) : | 1.00000 | 3.00000 |
| breakfast cereal : | 3.00000 | 5.00000 |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | 2.00000 | 5.00000 |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 2.00000 | 5.00000 |
| fruit ices : | 1.00000 | 3.00000 |
| gelatins / puddings : | 2.00000 | 5.00000 |
| granulated sugar : | 2.00000 | 5.00000 |
| gravies : | - | - |
| hard candy : | 2.00000 | 5.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | 2.00000 | 5.00000 |
| meat products : | 5.00000 | 7.00000 |
| milk products : | 3.00000 | 5.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 200.00000 | 500.00000 |
| snack foods : | - | - |
| soft candy : | 2.00000 | 5.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 240-680-8 |
| chemidplus : | 016630607 |
| epa-srs : | 16630-60-7 |
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| other : | |
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| references : | |
| jecfa number : | 1668 |
| fl. number : | 12.185 |
| pubchem : | 662380 |
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