1-(2-furfuryl thio) propanone
1-(2-furfurylthio)propanone
Identification
| Name | 1-(2-furfuryl thio) propanone |
| IUPAC | 1-(furan-2-ylmethylsulfanyl)propan-2-one |
| CAS Number | 58066-86-7 |
| FDA UNII | 82RWM3F7T1 |
| Molecular Formula | C5 H8 O2 |
| Molecular Weight | 100.11716000 |
| Nikkaji Number | J2.649.962C |
Regulatory
| JECFA Food Flavoring | 2096 1-(2-furfurylthio)-propanone |
| DG SANTE Food Flavourings | 13.135 1-(2-furfurylthio)propanone |
| FEMA Number | 4676 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 58066-86-7 ; 1-(2-FURFURYLTHIO)PROPANONE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.14600 to 1.15400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.536 to 9.602 |
| Refractive Index | 1.52500 to 1.53100 @ 20.00 °C. |
| Boiling Point | 281.00 to 282.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.038000 mmHg @ 25.00 °C. (est) |
| Flash Point | 210.00 °F. TCC ( 98.89 °C. ) |
| logP (o/w) | 0.792 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | roasted coffee |
| Taste Description | at 10.00 ppm in sugar syrup. |
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 1-(2-furfuryl thio) propanone usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.61 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 780 (μg/person/day) |
| Adequate NOAEL exists | Yes |
| Threshold of Concern | 90 (μg/person/day) |
| Structure Class | III |
| baked goods | 1.00000 |
| beverages(nonalcoholic) | 1.00000 |
| beverages(alcoholic) | 1.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | 2.00000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 2.00000 |
| hard candy | 1.00000 |
| imitation dairy | - |
| instant coffee / tea | 2.00000 |
| jams / jellies | - |
| meat products | 2.00000 |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | 0.10000 |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | 1.00000 |
| soft candy | - |
| soups | 1.00000 |
| sugar substitutes | - |
| sweet sauces | - |
| Dairy products, excluding products of category 02.0 (01.0) | - |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | - |
| Edible ices, including sherbet and sorbet (03.0) | 0.50000 |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 2.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | - |
| Bakery wares (07.0) | 1.50000 |
| Meat and meat products, including poultry and game (08.0) | 1.10000 |
| 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) | - |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 1.50000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.50000 |
| Ready-to-eat savouries (15.0) | 1.50000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | - |
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Potential Uses
Natural Occurrence
Synonyms
1-(
furan-2-yl methyl sulfanyl)-2-propanone
1-(
furan-2-ylmethylsulfanyl)-2-propanone
1-(
furan-2-ylmethylsulfanyl)propan-2-one
furfuryl thioacetone
1-(2-
furfurylthio) propanone
1-(
furfurylthio)-2-propanone
1-(2-
furfurylthio)-2-propanone
1-(2-
furfurylthio)-propanone
furfurylthio)acetone
1-(2-
furfurylthio)propanone
3-(2-
furfurylthio)propanone
furfurylthioacetone
furfurythio acetone
furfurythioacetone
1-[(2-
furylmethyl)sulfanyl]acetone
1-(2-
furylmethylthio)acetone
2-
propanone, 1-[(2-furanylmethyl)thio]-
US Patents:
3,952,024 - Furfurylthioacetone
Leffingwell & Associates:
Flavor Properties of FEMA GRAS List 25 flavor chemicals
US Patents:
Furfurylthioacetone
US Patents:
Certain 2,5-dimethyl-3-thiopyrazines