acetal
acetaldehyde diethyl acetal
Identification
| Name | acetal |
| IUPAC | 1,1-diethoxyethane |
| CAS Number | 105-57-7 |
| EINECS | 203-310-6 |
| FDA UNII | 5G14F9E2HB |
| Molecular Formula | C6 H14 O2 |
| Molecular Weight | 118.17598000 |
| MDL Number | MFCD00009243 |
| Nikkaji Number | J5.044J |
| Beilstein | 1098310 |
| CoE Number | 35 |
| XlogP3 | 0.80 (est) |
Regulatory
| JECFA Food Flavoring | 941 acetal |
| DG SANTE Food Flavourings | 06.001 1,1-diethoxyethane |
| FEMA Number | 2002 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 105-57-7 ; ACETAL |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (exp) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.82200 to 0.83100 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.840 to 6.915 |
| Refractive Index | 1.37800 to 1.38600 @ 20.00 °C. |
| Melting Point | -100.00 °C. @ 760.00 mm Hg |
| Boiling Point | 102.00 to 104.00 °C. @ 760.00 mm Hg, 32.00 to 33.00 °C. @ 50.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 27.600000 mmHg @ 25.00 °C. |
| Vapor Density | 4.1 ( Air = 1 ) |
| Flash Point | -5.00 °F. TCC ( -20.56 °C. ) |
| logP (o/w) | 0.840 |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | < 1 hour(s) at 100.00 % |
| Odor Description |
at 1.00 % in propylene glycol. ETHEREAL, EARTHY, GREEN
|
| Taste Description |
nutty earthy vegetable nutty
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 4600 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-rat LCLo 4000 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 and cosmetic fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for acetal usage levels up to | 0.1000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 200.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 640.00 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 65.00000 |
| beverages(nonalcoholic) | 5.00000 |
| beverages(alcoholic) | 109.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 155.00000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | 2.00000 |
| fish products | - |
| frozen dairy | 36.00000 |
| fruit ices | - |
| gelatins / puddings | 36.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 4.00000 |
| 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 | 33.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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