diethyl malonate
propanedioic acid, diethyl ester
Identification
| Name | diethyl malonate |
| IUPAC | diethyl propanedioate |
| CAS Number | 105-53-3 |
| EINECS | 203-305-9 |
| FDA UNII | 53A58PA183 |
| Molecular Formula | C7 H12 O4 |
| Molecular Weight | 160.16944000 |
| MDL Number | MFCD00009195 |
| Nikkaji Number | J3.234D |
| Beilstein | 0774687 |
| CoE Number | 2106 |
| XlogP3 | 1.00 (est) |
Regulatory
| JECFA Food Flavoring | 614 diethyl malonate |
| DG SANTE Food Flavourings | 09.490 diethyl malonate |
| FEMA Number | 2375 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 105-53-3 ; DIETHYL MALONATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 1.05300 to 1.05600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.762 to 8.787 |
| Refractive Index | 1.41300 to 1.41600 @ 20.00 °C. |
| Melting Point | -51.00 to -50.00 °C. @ 760.00 mm Hg |
| Boiling Point | 199.00 to 200.00 °C. @ 760.00 mm Hg, 82.00 to 83.00 °C. @ 11.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.269000 mmHg @ 25.00 °C. |
| Vapor Density | 5.52 ( Air = 1 ) |
| Flash Point | 212.00 °F. TCC ( 100.00 °C. ) |
| logP (o/w) | 0.960 |
| Shelf Life | 24.00 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 |
| Insoluble in | paraffin oil |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 4 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Sweet, green, apple and fruity
|
| Odor sample from | Berje Inc. |
| Taste Description | at 50.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 14900 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 16 ml/kg |
| 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 diethyl malonate usage levels up to | 10.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 650.00 (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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