3-penten-2-one
ethylidene acetone
Identification
| Name | 3-penten-2-one |
| IUPAC | pent-3-en-2-one |
| CAS Number | 625-33-2 |
| EINECS | 210-888-3 |
| FDA UNII | Search |
| Molecular Formula | C5 H8 O |
| Molecular Weight | 84.11796000 |
| MDL Number | MFCD00009290 |
| Beilstein | 1633505 |
| CoE Number | 666 |
| XlogP3 | 0.50 (est) |
Regulatory
| JECFA Food Flavoring | 1124 3-penten-2-one |
| DG SANTE Food Flavourings | 07.044 pent-3-en-2-one |
| FEMA Number | 3417 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 625-33-2 ; 3-PENTEN-2-ONE |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86000 to 0.86500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.156 to 7.198 |
| Refractive Index | 1.43300 to 1.43700 @ 20.00 °C. |
| Boiling Point | 122.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 14.217000 mmHg @ 25.00 °C. (est) |
| Flash Point | 70.00 °F. TCC ( 21.11 °C. ) |
| logP (o/w) | 0.520 |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in dipropylene glycol. Sharp and acetone-like and fruity, phenolic and fishy with a chemical glue nuance
|
| Taste Description | at 10.00 ppm. |
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-rat LD50 3200 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 500 ul/kg |
| Inhalation Toxicity | inhalation-rat TCLo 250 ppm/4H |
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-penten-2-one usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.26 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | ND (μg/capita/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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