3-mercapto-2-pentanone
3-mercaptopentan-2-one
Identification
| Name | 3-mercapto-2-pentanone |
| IUPAC | (3S)-3-sulfanylpentan-2-one |
| EINECS | 266-799-5 |
| FDA UNII | Search |
| Molecular Formula | C5 H10 O S |
| Molecular Weight | 118.19890000 |
| MDL Number | MFCD02093290 |
| Nikkaji Number | J333.236E |
| CoE Number | 2327 |
Regulatory
| JECFA Food Flavoring | 560 3-mercapto-2-pentanone |
| DG SANTE Food Flavourings | 12.031 3-mercaptopentan-2-one |
| FEMA Number | 3300 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 67633-97-0 ; 3-MERCAPTO-2-PENTANONE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 160.00 to 165.00 °C. @ 760.00 mm Hg, 57.00 °C. @ 15.00 mm Hg |
| Vapor Pressure | 2.743000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 4.1 ( Air = 1 ) |
| Flash Point | 122.00 °F. TCC ( 50.00 °C. ) |
| logP (o/w) | 1.383 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. at 0.10 % in triacetin. Raw meat, blood-like in dilution meaty Meaty, Roast, Sulphurous Sulfurous, metallic, roasted, onion, horseradish, potato
|
| Taste Description |
at 0.02 - 0.20 ppm. bloody meaty
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-mouse LD50 [sex: M,F] M:540.00 F:455 mg/kg |
| 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-mercapto-2-pentanone usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| NOEL (No Observed Effect Level) | 1.9 (mg/kg bw per day) |
| Structure Class | I |
| 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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