berry pentadienoate
ethyl 2-methyl-3,4-pentadienoate
Identification
| Name | berry pentadienoate |
| IUPAC | ethyl 2-methylpenta-3,4-dienoate |
| CAS Number | 60523-21-9 |
| EINECS | 262-278-1 |
| FDA UNII | ZBL6PWV9J9 |
| Molecular Formula | C8 H12 O2 |
| Molecular Weight | 140.18204000 |
| Nikkaji Number | J65.564C |
| Beilstein | 1926000 |
Regulatory
| JECFA Food Flavoring | 353 ethyl 2-methyl-3,4-pentadienoate |
| DG SANTE Food Flavourings | 09.540 ethyl 2-methylpenta-3,4-dienoate |
| FEMA Number | 3678 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 60523-21-9 ; ETHYL 2-METHYL-3,4-PENTADIENOATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.92200 to 0.92800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.672 to 7.722 |
| Refractive Index | 1.44600 to 1.45200 @ 20.00 °C. |
| Boiling Point | 65.00 °C. @ 18.00 mm Hg |
| Vapor Pressure | 1.319000 mmHg @ 25.00 °C. (est) |
| Flash Point | 110.00 °F. TCC ( 43.33 °C. ) |
| logP (o/w) | 1.833 (est) |
| Shelf Life | 48.00 month(s) or longer if stored properly. |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | > 6 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Green, sweet, fruity, tufti-frutti-Iike with tropical and rummy nuances Fruity, delicious apple, drying down to a plum with strong tropical pineapple undertones
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
fruity tropical tutti frutti green berry strawberry grape juicy at 15.00 ppm. Fresh strawberry, apple
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-mouse LD50 [sex: M] 1316 mg/kg |
| 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 berry pentadienoate usage levels up to | 4.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 10.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | ND (μg/person/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 | - |
Bedoukian Research, Inc.
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