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| IUPAC name : | 2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate |
| InChI : | InChI=1/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3 |
| InChIKey : | VJULDCZELAIZHC-UHFFFAOYAV |
| SMILES : | CCCCCC(=O)OCCC1=C(N=CS1)C |
| (EINECS) number : | 303-210-3 |
| cas number : | 94159-32-7 |
| fema number : | 4279 |
| jecfa number : | 1755 |
| molar refractivity : | 66.67 ± 0.3 cm3 |
| parachor : | 562.2 ± 4.0 cm3 |
| index of refraction : | 1.507 ± 0.02 |
| surface tension : | 39.8 ± 3.0 dyne/cm |
| density : | 1.078 ± 0.06 g/cm3 |
| polarizability : | 26.43 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 241.3497600 |
| formula : | C12 H19 N O2 S |
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| fda reg : | unspecified |
h. number : | unspecified |
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| 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 : | 1.06500 - 1.07100 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.862 to 8.912
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| refractive index : | 1.49200 - 1.49700 @ 20.00 °C.
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| boiling point : | 143.00 - 145.00 °C. @ 2.00 mm Hg
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| boiling point : | 338.00 - 339.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.11 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 317.00 °F. TCC ( 158.33 °C. )
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| recommendation for sulfuryl hexanoate usage levels up to : |
| | 0.0100 % 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). |
| publication number : 23. |
| 4279 | average usual ppm | average maximum ppm |
| baked goods : | 0.50000 | 0.90000 |
| beverages(nonalcoholic) : | 0.10000 | 0.10000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| 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 : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 303-210-3 |
| chemidplus : | 094159327 |
| epa-srs : | 94159-32-7 |
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| other : | |
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| references : | |
| jecfa number : | 1755 |
| pubchem : | 3797458 |
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