(E)-2-hexenoic acid
trans-2-hexenoic acid
Identification
| Name | (E)-2-hexenoic acid |
| IUPAC | (E)-hex-2-enoic acid |
| CAS Number | 13419-69-7 |
| EINECS | 236-528-5 |
| FDA UNII | VQ24908VRU |
| Molecular Formula | C6 H10 O2 |
| Molecular Weight | 114.14410000 |
| MDL Number | MFCD00002705 |
| Nikkaji Number | J98.002A |
| Beilstein | 1720443 |
| CoE Number | 11777 |
Regulatory
| JECFA Food Flavoring | 1361 trans-2-hexenoic acid |
| DG SANTE Food Flavourings | 08.054 hex-2(trans)-enoic acid |
| FEMA Number | 3169 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 13419-69-7 ; TRANS-2-HEXENOIC ACID |
Physical Properties
| Appearance | colorless crystalline needles (est) |
| Assay | 96.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.95800 to 0.96800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.972 to 8.055 |
| Refractive Index | 1.48500 to 1.50500 @ 20.00 °C. |
| Melting Point | 28.00 to 34.00 °C. @ 760.00 mm Hg |
| Boiling Point | 217.00 °C. @ 760.00 mm Hg, 118.00 °C. @ 19.00 mm Hg |
| Vapor Pressure | 0.054000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 3.9 ( Air = 1 ) |
| Flash Point | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w) | 1.677 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | > 4 hour(s) at 100.00 % |
| Odor Description |
at 1.00 % in propylene glycol. cheesy, fatty Powerful fruity, sweet and warm cheesy, fatty, somewhat caramel-like
|
| Taste Description |
acidic cheesy fruity sweet Strong acidic, cheesy character. fruity
|
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 | flavoring agents |
| Recommendation for (E)-2-hexenoic acid usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 16.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 36.00 (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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