heptanal cyclic acetal with glycerol
heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals)
Identification
| Name | heptanal cyclic acetal with glycerol |
| IUPAC | 1-heptoxy-3-hydroxypropan-2-one |
| CAS Number | 72854-42-3 |
| EINECS | 276-947-0 |
| FDA UNII | 5I30XVD432 |
| Molecular Formula | C10 H20 O3 |
| Molecular Weight | 188.26700000 |
| CoE Number | 2016 |
Regulatory
| DG SANTE Food Flavourings | 06.029 heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals) |
| FEMA Number | 2542 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 977043-66-5 ; HEPTANAL GLYCERYL ACETAL (MIXED 1,2 AND 1,3 ACETALS) |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.99000 to 1.00300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.238 to 8.346 |
| Refractive Index | 1.44500 to 1.45500 @ 20.00 °C. |
| Boiling Point | 297.00 to 298.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.000137 mmHg @ 25.00 °C. (est) |
| Flash Point | 227.00 °F. TCC ( 108.33 °C. ) |
| logP (o/w) | 2.574 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 100.00 %. |
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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for heptanal cyclic acetal with glycerol usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.30 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.00 (μg/capita/day) |
| Structure Class | III |
| 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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Exchange of knowledge
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Potential Uses
Natural Occurrence
Synonyms
aldehyde C-7 cyclic acetal with glycerol
heptanal cyclic acetal with 1,2,3-propane triol
heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals)
heptanal, cyclic acetal with 1,2,3-propanetriol
heptanal, cyclic acetal with glycerol
1-
heptoxy-3-hydroxy-2-propanone
1-
heptoxy-3-hydroxypropan-2-one
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