1-phenyl-1,2-propane dione
1-phenyl-1,2-propanedione
Identification
| Name | 1-phenyl-1,2-propane dione |
| IUPAC | 1-phenylpropane-1,2-dione |
| CAS Number | 579-07-7 |
| EINECS | 209-435-2 |
| FDA UNII | ZB5XA3GD0I |
| Molecular Formula | C9 H8 O2 |
| Molecular Weight | 148.16116000 |
| MDL Number | MFCD00008755 |
| Nikkaji Number | J95.015G |
| CoE Number | 2275 |
| XlogP3 | 1.70 (est) |
Regulatory
| JECFA Food Flavoring | 833 1-phenyl-1,2-propanedione |
| DG SANTE Food Flavourings | 07.079 1-phenylpropan-1,2-dione |
| FEMA Number | 3226 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 579-07-7 ; 1-PHENYL-1,2-PROPANEDIONE |
Physical Properties
| Appearance | yellow clear oily liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.09600 to 1.11600 @ 20.00 °C. |
| Pounds per Gallon - (est). | 9.130 to 9.297 |
| Refractive Index | 1.52600 to 1.53600 @ 20.00 °C. |
| Melting Point | 18.00 to 19.00 °C. @ 760.00 mm Hg |
| Boiling Point | 103.00 to 105.00 °C. @ 14.00 mm Hg, 222.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.075000 mmHg @ 25.00 °C. (est) |
| Flash Point | 184.00 °F. TCC ( 84.44 °C. ) |
| logP (o/w) | 1.169 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 10.00 % in propylene glycol. butter; medicinal; green; vegetable; pepper
|
| Taste Description | caramellic cocoa whey nutty |
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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 4.90 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (μg/capita/day) |
| Threshold of Concern | 540 (μg/person/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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