dihydroxyacetophenone (mixed isomers)
2,2-dihydroxy-1-phenylethanone
Identification
| Name | dihydroxyacetophenone (mixed isomers) |
| IUPAC | 2,2-dihydroxy-1-phenylethanone |
| CAS Number | 28631-86-9 |
| FDA UNII | Search |
| Molecular Formula | C8 H8 O3 |
| Molecular Weight | 152.14936000 |
| Nikkaji Number | J888.400E |
| Beilstein | 2437741 |
| CoE Number | 11884 |
| XlogP3 | 0.50 (est) |
Regulatory
| JECFA Food Flavoring | 729 dihydroxyacetophenone (mixed isomers) |
| DG SANTE Food Flavourings | 07.135 2,2-dihydroxyacetophenone |
| FEMA Number | 3662 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 28631-86-9 ; DIHYDROXYACETOPHENONE |
Physical Properties
| Appearance | yellow crystals (est) |
| Assay | 96.00 to 100.00 sum of isomers |
| Additional Assay Information | mix of 1-(x,y-dihydroxyphenyl) ethanones |
| Food Chemicals Codex Listed | No |
| Melting Point | 90.00 to 92.00 °C. @ 760.00 mm Hg |
| Boiling Point | 265.00 to 266.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point | 263.00 °F. TCC ( 128.33 °C. ) |
| logP (o/w) | 1.163 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 10.00 % in dipropylene glycol. Vegetative, green, fatty and nutty with earthy, powdery nuances
|
| Taste Description | at 40.00 ppm. |
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 dihydroxyacetophenone (mixed isomers) 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) | 0.10 (μg/capita/day) |
| 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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Potential Uses
Natural Occurrence
Synonyms
acetophenone, 2,2-dihydroxy-
dihydroxy 1-phenylethanone
2,2-
dihydroxy-1-phenyl-ethanone
2,2-
dihydroxy-1-phenylethanone
2,2-
dihydroxy-1-phenylethanone (mixed isomers)
2,2-
dihydroxyacetophenone
dihydroxyphenyl ethanone (mixed isomers)
dihydroxyphenyl methyl ketone (mixed isomers)
1-(x,y-
dihydroxyphenyl) ethanones (mixed isomers)
dioxyacetophenone (mixed isomers)
ethanone, 2,2-dihydroxy-1-phenyl-
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