(E,E)-3,5-octadien-2-one
trans,trans-3,5-octadien-2-one
Identification
| Name | (E,E)-3,5-octadien-2-one |
| CAS Number | 30086-02-3 |
| FDA UNII | TD4E94AD7V |
| Molecular Formula | C8 H12 O |
| Molecular Weight | 124.18284000 |
| Nikkaji Number | J126.520B |
| CoE Number | 2148 |
Regulatory
| JECFA Food Flavoring | 1139 (E,E)-3,5-octadien-2-one |
| DG SANTE Food Flavourings | 07.247 (E,E)-3,5-octadien-2-one |
| FEMA Number | 4008 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 30086-02-3 ; 3,5-OCTADIEN-2-ONE, TRANS, TRANS- |
Physical Properties
| Appearance | yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.88000 to 0.89000 @ 20.00 °C., 0.88000 to 0.89000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.331 to 7.414 |
| Pounds per Gallon - est. | 7.322 to 7.406 |
| Refractive Index | 1.50800 to 1.51600 @ 20.00 °C., 1.50800 to 1.51600 @ 20.00 °C. |
| Boiling Point | 185.00 to 186.00 °C. @ 760.00 mm Hg (est), 220.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.437000 mmHg @ 25.00 °C. (est) |
| Flash Point | 146.00 °F. TCC ( 63.33 °C. ) |
| logP (o/w) | 1.770 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 1.00 % in dipropylene glycol. |
Safety Information
| 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,E)-3,5-octadien-2-one usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 4.00 (μg/capita/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| baked goods | 4.00000 |
| beverages(nonalcoholic) | 2.00000 |
| beverages(alcoholic) | 2.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 16.00000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 2.00000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 4.00000 |
| imitation dairy | 2.00000 |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | 2.00000 |
| soft candy | 3.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
(3E,5E)-
octa-3,5-dien-2-one
(E,E)-
octa-3,5-dien-2-one
(3E,5E)-3,5-
octadien-2-one
trans,trans-3,5-
octadien-2-one
3,5-
octadien-2-one, (3E,5E)-
3,5-
octadien-2-one, (E,E)-
US Patents:
3,937,228 - Aromatic compositions