4-furfuryl thio-2-pentanone
4-[(2-furanylmethyl)thio]-2-pentanone
Identification
| Name | 4-furfuryl thio-2-pentanone |
| IUPAC | 4-(furan-2-ylmethylsulfanyl)pentan-2-one |
| CAS Number | 180031-78-1 |
| FDA UNII | W5N093JFRP |
| Molecular Formula | C10 H14 O2 S |
| Molecular Weight | 198.28498000 |
| Nikkaji Number | J1.544.260C |
Regulatory
| JECFA Food Flavoring | 1084 4-[(2-furanylmethyl)thio]-2-pentanone |
| DG SANTE Food Flavourings | 13.196 4-(furfurylthio) pentan-2-one |
| FEMA Number | 3840 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 180031-78-1 ; 4-((FURANMETHYL)THIO)-2-PENTANONE |
Physical Properties
| Appearance | yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.08800 to 1.09600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.053 to 9.120 |
| Refractive Index | 1.51300 to 1.51800 @ 20.00 °C. |
| Boiling Point | 288.00 to 289.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point | 263.00 °F. TCC ( 128.33 °C. ) |
| logP (o/w) | 1.313 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Taste Description | meaty |
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 4-furfuryl thio-2-pentanone 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) | 0.60 (μg/capita/day) |
| NOEL (No Observed Effect Level) | 3.80 (mg/kg bw per day) |
| Structure Class | III |
| baked goods | 10.00000 |
| beverages(nonalcoholic) | 0.50000 |
| beverages(alcoholic) | 2.50000 |
| breakfast cereal | 5.00000 |
| cheese | - |
| chewing gum | 20.00000 |
| condiments / relishes | - |
| confectionery froastings | 5.00000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 10.00000 |
| imitation dairy | - |
| instant coffee / tea | 5.00000 |
| jams / jellies | - |
| meat products | - |
| milk products | 5.00000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | 5.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
furan methyl thiopentanone
4-((2-
furan methyl) thio)-2-pentanone
4-(
furan-2-yl methyl sulfanyl) pentane-2-one
4-(
furan-2-ylmethylsulfanyl)pentan-2-one
4-(
furan-2-ylmethylsulfanyl)pentane-2-one
4-(
furan-2-ylmethylthio)pentan-2-one
4-((2-
furanmethyl)thio)-2-pentanone
4-[(2-
furanmethyl)thio]-2-pentanone
4-[2-(
furanmethyl)thio]-2-pentanone
furanmethylthiopentanone
4-((2-
furanylmethyl)thio)-2-pentanone
4-[(2-
furanylmethyl)thio]-2-pentanone
4-
furfurylthio-2-pentanone
4-(
furfurylthio) pentan-2-one
4-(
furfurylthio)-2-pentanone
4-[(2-
furylmethyl)thio]pentan-2-one
4-(2-
furylmethylthio)pentan-2-one
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