3-methyl-2-butenal
3-methylcrotonaldehyde
Identification
| Name | 3-methyl-2-butenal |
| IUPAC | 3-methylbut-2-enal |
| CAS Number | 107-86-8 |
| EINECS | 203-527-6 |
| FDA UNII | 2JZ2B60W76 |
| Molecular Formula | C5 H8 O |
| Molecular Weight | 84.11796000 |
| MDL Number | MFCD00010291 |
| Nikkaji Number | J9.338F |
| Beilstein | 1734740 |
| CoE Number | 10354 |
Regulatory
| JECFA Food Flavoring | 1202 3-methyl-2-butenal |
| DG SANTE Food Flavourings | 05.124 3-methylcrotonaldehyde |
| FEMA Number | 3646 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 107-86-8 ; 3-METHYL-2-BUTENAL |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.87600 to 0.88300 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.298 to 7.356 |
| Refractive Index | 1.46000 to 1.46400 @ 20.00 °C. |
| Boiling Point | 133.00 to 135.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 8.253000 mmHg @ 25.00 °C. (est) |
| Flash Point | 92.00 °F. TCC ( 33.33 °C. ) |
| logP (o/w) | 1.190 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 1.00 % in dipropylene glycol. sweet, fruity, pungent, brown and nutty with an almond and cherry nuance
|
| Taste Description | at 25.00 ppm. |
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 |
| Recommendation for 3-methyl-2-butenal usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.30 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.50 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| 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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