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| IUPAC name : | propyl 2-sulfanylpropanoate |
| InChI : | InChI=1/C6H12O2S/c1-3-4-8-6(7)5(2)9/h5,9H,3-4H2,1-2H3 |
| InChIKey : | SZNSBSIVODFXBS-UHFFFAOYAD |
| SMILES : | CCCOC(=O)C(C)S |
| cas number : | 19788-50-2 |
| fema number : | 4207 |
| jecfa number : | 1667 |
| fl. number : | 12.267 |
| molar refractivity : | 39.47 ± 0.3 cm3 |
| parachor : | 344.8 ± 4.0 cm3 |
| index of refraction : | 1.455 ± 0.02 |
| surface tension : | 31.5 ± 3.0 dyne/cm |
| density : | 1.018 ± 0.06 g/cm3 |
| polarizability : | 15.64 ± 0.5 10-24cm3 |
| molecular weight : | 148.2232800 |
| formula : | C6 H12 O2 S |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
odor description :
| cooked roasted meat |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.01400 - 1.02000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.437 to 8.487
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| refractive index : | 1.44700 - 1.45300 @ 20.00 °C.
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| boiling point : | 191.00 - 194.00 °C. @ 760.00 mm Hg
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| logp : | 2.06 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 165.00 °F. TCC ( 73.89 °C. )
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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. |
| 4207 | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | 0.04000 | 0.10000 |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 0.04000 | 0.10000 |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 0.04000 | 0.10000 |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.04000 | 0.10000 |
| snack foods : | 0.04000 | 0.10000 |
| soft candy : | - | - |
| soups : | 0.04000 | 0.10000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| chemidplus : | 19788-50-2 |
| epa-srs : | 19788-50-2 |
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| other : | |
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| references : | |
| jecfa number : | 1667 |
| fl. number : | 12.267 |
| pubchem : | 19788-50-2 |
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| synonyms : |
| 2- | mercaptopropanoic acid propyl ester | | | propyl 2-mercaptopropionate | | | propyl 2-sulfanyl propanoate |
| soluble in : |
| | alcohol | | | water, slightly |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| 5- | acetyl-2,3-dihydro-1,4-thiazine |
| S- | allyl-laevo-cysteine |
| 2- | butyl-2-butenal |
| 3,6- | diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture |
| 2,6- | dimethyl thiophenol |
| 3,7- | dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide |
| 2,5- | dimethyl-3-thiofuroyl furan |
| 1,1- | ethane dithiol 1% in ethanol |
| 3-( | ethyl thio) butanol |
| (Z+E)-5- | ethyl-4-methyl-2-(2-butyl) thiazoline |
| (Z+E)-5- | ethyl-4-methyl-2-(2-methyl propyl) thiazoline |
| | lactoyl ethanolamine |
| | lactoyl ethanolamine phosphate |
| 2- | mercapto-3-pentanone |
| 2- | methyl thiazolidine |
| (±)-3-( | methyl thio) heptanal |
| 3-( | methyl thio) methyl thiophene |
| 12- | methyl tridecanal |
| 2- | methyl-1-methyl thio-2-butene |
| 2- | methyl-3-(methyl thio) pyrazine |
| bis(2- | methyl-3-furyl) disulfide |
| S-(2- | methyl-3-furyl) ethane thioate |
| 3-((2- | methyl-3-furyl)thio)-4-heptanone |
| | nutty thiazole |
| 1- | phenyl-3(5)-propyl pyrazole |
| 3-iso | propenyl pentane dioic acid |
| 2- | pyridinyl methane thiol |
| | pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine |
| | roasted butanol |
| | thialdine |
| 3- | thienyl mercaptan |
| 2,4,6- | trithiaheptane 10% in triacetin |
| natural occurrence in : |
| found in nature |
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