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| IUPAC name : | methyl 3-(2-furylmethylsulfanyl)propanoate |
| InChI : | InChI=1/C9H12O3S/c1-11-9(10)4-6-13-7-8-3-2-5-12-8/h2-3,5H,4,6-7H2,1H3 |
| InChIKey : | MXXNUXUTQGTBGJ-UHFFFAOYAV |
| SMILES : | COC(=O)CCSCc1ccco1 |
| cas number : | 94278-26-9 |
| (EINECS) number : | 304-715-1 |
| fema number : | 4538 |
| fl. number : | 13.143 |
| molar refractivity : | 51.77 ± 0.3 cm3 |
| parachor : | 432.5 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 39.9 ± 3.0 dyne/cm |
| density : | 1.164 ± 0.06 g/cm3 |
| polarizability : | 20.52 ± 0.5 10-24cm3 |
| molecular weight : | 200.2547800 (IUPAC) |
| formula : | C9 H12 O3 S |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.50.3000 |
| fda reg : | unspecified |
Suppliers :
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| Frutarom : | Methyl 3-(Furfurylthio)propionate
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| Frutarom : | METHYL FURFURYLMERCAPTOPROPIONATE
≥98.00%, NI, Kosher
Odor: Earthy, Fruity, Sweet
Suggested Uses: Chocolate, Coffee, Meat, Mushroom, Tomato |
| Jiangyin Healthway : | Methyl 3-(furfurylthio)propionate
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| Penta : | methyl furfuryl mercaptopropionate
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| Treatt : | Methyl-3(furfurylthio)propionate
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organoleptics :
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| odor type : | earthy |
odor description:
| earthy fruity |
properties :
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| appearence : | pale yellow to amber clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.16000 to 1.18000 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.652 to 9.819
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| refractive index : | 1.50900 to 1.51900 @ 20.00 °C.
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| boiling point : | 116.00 to 118.00 °C. @ 0.20 mm Hg
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| boiling point : | 338.00 to 339.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor density : | 6.8 ( Air = 1 ) |
| flash point : | 197.00 °F. TCC ( 91.67 °C. )
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| logP (o/w) : | 1.97 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
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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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| Category : | flavoring agents |
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| recommendation for methyl furfuryl mercaptopropionate fragrance 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). |
| 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 : 24 |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | 0.10000 | 1.00000 |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | 0.10000 | 1.00000 |
| 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 : | 0.10000 | 1.00000 |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
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| WGK Germany : | 3 |
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methyl 3-(2-furylmethylsulfanyl)propanoate |
| (EINECS) number : | 304-715-1 |
| chemidplus : | 094278269 |
| EPA Substance Registry Services : | 94278-26-9 |
references :
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| |
methyl 3-(2-furylmethylsulfanyl)propanoate |
| fl. number : | 13.143 |
| pubchem : | 3798830 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |