2-methyl-3-pentenoic acid
isofragarone (IFF)
Identification
| Name | 2-methyl-3-pentenoic acid |
| IUPAC | 2-methylpent-3-enoic acid |
| CAS Number | 37674-63-8 |
| EINECS | 253-610-6 |
| FDA UNII | 7N2Z33Q5NJ |
| Molecular Formula | C6 H10 O2 |
| Molecular Weight | 114.14410000 |
| Nikkaji Number | J261.221F |
| CoE Number | 10147 |
Regulatory
| JECFA Food Flavoring | 347 2-methyl-3-pentenoic acid |
| DG SANTE Food Flavourings | 08.058 2-methylpent-3-enoic acid |
| FEMA Number | 3464 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 37674-63-8 ; 2-METHYL-3-PENTENOIC ACID |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Additional Assay Information | as 60/40 mix of Z/E isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.96000 to 0.96600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.988 to 8.038 |
| Refractive Index | 1.43000 to 1.43700 @ 20.00 °C. |
| Boiling Point | 199.00 to 200.00 °C. @ 760.00 mm Hg, 85.00 °C. @ 10.00 mm Hg |
| Vapor Pressure | 0.139000 mmHg @ 25.00 °C. (est) |
| Flash Point | 202.00 °F. TCC ( 94.44 °C. ) |
| logP (o/w) | 1.413 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store under nitrogen., refrigerate in tightly sealed containers. store under nitrogen. |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 1.00 % in ethyl alcohol. |
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 |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.20 (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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Potential Uses
Natural Occurrence
Synonyms
iso
fragarone (IFF)
iso
fragarone-030 (IFF)
2-
methyl pent-3-en-1-oic acid
2-
methyl pent-3-enoic acid
2-
methyl-3-pentenoic acid
2-
methyl-3-pentenoic acid 1% in ethanol
2-
methylpent-3-en-1-oic acid
2-
methylpent-3-enoic acid
3-
pentenoic acid, 2-methyl-
US Patents:
3,931,293 - Processes for producing cis alkyl-2-methyl-3-pentenoates and isomer mixtures containing high proportions of cis alkyl-2-methyl-3-pentenoates
US Patents:
3,931,306 - Process for producing isomer mixtures containing high proportions of cis-2-methyl-3-pentenoic acid