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| IUPAC name : | 3-[(methylsulfanyl)methyl]thiophene |
| InChI : | InChI=1/C6H8S2/c1-7-4-6-2-3-8-5-6/h2-3,5H,4H2,1H3 |
| InChIKey : | YWUFGNXATBTVEB-UHFFFAOYAB |
| SMILES : | CSCc1ccsc1 |
| cas number : | 61675-72-7 |
| fema number : | 4184 |
| jecfa number : | 1765 |
| fl. number : | 15.126 |
| molar refractivity : | 42.18 ± 0.3 cm3 |
| parachor : | 317.6 ± 4.0 cm3 |
| index of refraction : | 1.585 ± 0.02 |
| surface tension : | 40.8 ± 3.0 dyne/cm |
| density : | 1.147 ± 0.06 g/cm3 |
| polarizability : | 16.72 ± 0.5 10-24cm3 |
| molecular weight : | 144.2577200 |
| formula : | C6 H8 S2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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odor description :
| cooked roasted dairy |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.52200 to 1.52500 @ 25.00 °C.
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| pounds per gallon - calc. : | 12.665 to 12.690
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| refractive index : | 1.58000 to 1.59500 @ 20.00 °C.
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| boiling point : | 210.00 to 211.00 °C. @ 760.00 mm Hg
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| logp : | 2.24 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 171.00 °F. TCC ( 77.22 °C. )
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| recommendation for 3-(methyl thio) methyl thiophene 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. |
| 4184 | average usual ppm | average maximum ppm |
| baked goods : | 0.02000 | 0.20000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | 0.00500 | 0.05000 |
| chewing gum : | - | - |
| condiments / relishes : | 0.00500 | 0.05000 |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | 0.01000 | 0.10000 |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 0.01000 | 0.10000 |
| hard candy : | - | - |
| imitation dairy : | 0.01000 | 0.10000 |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 0.00500 | 0.05000 |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | 0.00500 | 0.05000 |
| reconstituted vegetables : | 0.00500 | 0.05000 |
| seasonings / flavors : | 0.05000 | 0.50000 |
| snack foods : | 0.01000 | 0.10000 |
| soft candy : | - | - |
| soups : | 0.00500 | 0.05000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety links :
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| chemidplus : | 61675-72-7 |
| EPA Substance Registry Services : | 61675-72-7 |
| NLM Chemical Carcinogenesis Research Information System : | 61675-72-7 |
| NLM Developmental and Reproductive Toxicity : | 61675-72-7 |
| NLM Env. Mutagen Info. Center : | 61675-72-7 |
| NLM GENetic TOXicology : | 61675-72-7 |
| EPI System : | view |
other :
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references :
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| jecfa number : | 1765 |
| fl. number : | 15.126 |
| pubchem : | 61675-72-7 |