3-(methyl thio) methyl thiophene
3-(methylthio)methylthiophene
Identification
| Name | 3-(methyl thio) methyl thiophene |
| IUPAC | 3-[(methylsulfanyl)methyl]thiophene |
| CAS Number | 61675-72-7 |
| FDA UNII | 1B3I56C12N |
| Molecular Formula | C6 H8 S2 |
| Molecular Weight | 144.25976000 |
| Nikkaji Number | J1.125.584A |
| XlogP3 | 2.10 (est) |
Regulatory
| JECFA Food Flavoring | 1765 3-(methylthio)methylthiophene |
| DG SANTE Food Flavourings | 15.126 3-(methylthio)methylthiophene |
| FEMA Number | 4184 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 61675-72-7 ; 3-(METHYLTHIO)METHYLTHIOPHENE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.52200 to 1.52500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 12.665 to 12.690 |
| Refractive Index | 1.58000 to 1.59500 @ 20.00 °C. |
| Boiling Point | 210.00 to 211.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.376000 mmHg @ 25.00 °C. (est) |
| Flash Point | 171.00 °F. TCC ( 77.50 °C. ) (est) |
| logP (o/w) | 2.239 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 3-(methyl thio) methyl thiophene usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | ND (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 3.8 (μg/person/day) |
| Threshold of Concern | 90 (μg/person/day) |
| Structure Class | III |
| baked goods | 0.02000 |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | 0.00500 |
| chewing gum | - |
| condiments / relishes | 0.00500 |
| confectionery froastings | - |
| egg products | - |
| fats / oils | 0.01000 |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 0.01000 |
| hard candy | - |
| imitation dairy | 0.01000 |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.00500 |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | 0.00500 |
| reconstituted vegetables | 0.00500 |
| seasonings / flavors | 0.05000 |
| snack foods | 0.01000 |
| soft candy | - |
| soups | 0.00500 |
| sugar substitutes | - |
| sweet sauces | - |
| Dairy products, excluding products of category 02.0 (01.0) | 0.01000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.01000 |
| Edible ices, including sherbet and sorbet (03.0) | - |
| Processed fruit (04.1) | 0.00500 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | - |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | - |
| Bakery wares (07.0) | 0.02000 |
| Meat and meat products, including poultry and game (08.0) | 0.00500 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | - |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.00500 |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | - |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | - |
| Ready-to-eat savouries (15.0) | 0.05000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.01000 |
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Potential Uses
Natural Occurrence
Synonyms
3-
methyl sulfanyl methyl thiophene
3-[(
methylsulfanyl)methyl]thiophene
3-[(
methylthio)methyl]thiophene
3-(
methylthio)methylthiophene
3-(
methylthiomethyl)thiophene
thiophene, 3-[(methylthio)methyl]-
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