3-tetrahydrothiophenone
4,5-dihydro-3(2H)-thiophenone
Identification
| Name | 3-tetrahydrothiophenone |
| IUPAC | thiolan-3-one |
| CAS Number | 1003-04-9 |
| EINECS | 213-698-9 |
| FDA UNII | 0E9MKH53DV |
| Molecular Formula | C4 H6 O S |
| Molecular Weight | 102.15602000 |
| MDL Number | MFCD00005412 |
| Nikkaji Number | J150.108I |
| Beilstein | 00105201 |
| CoE Number | 2337 |
Regulatory
| JECFA Food Flavoring | 498 4,5-dihydro-3(2H)-thiophenone |
| DG SANTE Food Flavourings | 15.012 4,5-dihydrothiophen-3(2H)-one |
| FEMA Number | 3266 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 1003-04-9 ; 4,5-DIHYDRO-3(2H)THIOPHENONE |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.20200 to 1.20700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 10.002 to 10.043 |
| Refractive Index | 1.52700 to 1.53100 @ 20.00 °C. |
| Boiling Point | 175.00 °C. @ 760.00 mm Hg, 86.00 to 87.00 °C. @ 25.00 mm Hg |
| Vapor Pressure | 1.161000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 171.00 °F. TCC ( 77.22 °C. ) |
| logP (o/w) | 0.222 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store under nitrogen., refrigerate in tightly sealed containers. store under nitrogen. |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in dipropylene glycol. Alliaceous, cooked meaty with green vegetable nuances butter; meaty; alliaceous (onion, garlic) roast meat, buttery, cooked garlic, clam notes
|
| Taste Description |
alliaceous onion garlic coffee chive at 15.00 ppm. onion garlic cooked meat vegetable roasted Onion, Garlic, Sulfurous, Egg
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| 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-tetrahydrothiophenone usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.44 (μg/capita/day) |
| Structure Class | II |
| baked goods | - |
| beverages(nonalcoholic) | - |
| 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 | - |
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