(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
(E) & (Z)-4,8-dimethyl-3,7-nonadien-2-one
Identification
| Name | (E+Z)-4,8-dimethyl-3,7-nonadien-2-one |
| IUPAC | 4,8-dimethylnona-3,7-dien-2-one |
| CAS Number | 817-88-9 |
| FDA UNII | 560T9FW4IA |
| Molecular Formula | C11 H18 O |
| Molecular Weight | 166.26366000 |
| Nikkaji Number | J352.497C |
Regulatory
| JECFA Food Flavoring | 1137 (E) & (Z)-4,8-dimethyl-3,7-nonadien-2-one |
| DG SANTE Food Flavourings | 07.256 (E) & (Z)-4,8-dimethyl-3,7-nonadien-2-one |
| FEMA Number | 3969 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 817-88-9 ; 4,8-DIMETHYL-3,7-NONADIEN-2-ONE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 94.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86900 to 0.87500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.231 to 7.281 |
| Refractive Index | 1.47300 to 1.47700 @ 20.00 °C. |
| Boiling Point | 200.00 to 201.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.022000 mmHg @ 25.00 °C. (est) |
| Flash Point | 216.00 °F. TCC ( 102.40 °C. ) (est) |
| logP (o/w) | 3.218 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 100.00 %. |
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 |
| Recommendation for (E+Z)-4,8-dimethyl-3,7-nonadien-2-one usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 6.10 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 6.60 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 19 (μg/person/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| baked goods | 50.00000 |
| beverages(nonalcoholic) | 1.00000 |
| beverages(alcoholic) | 5.00000 |
| breakfast cereal | 1.00000 |
| cheese | - |
| chewing gum | 50.00000 |
| condiments / relishes | - |
| confectionery froastings | 5.00000 |
| egg products | 5.00000 |
| fats / oils | 3.00000 |
| fish products | 5.00000 |
| frozen dairy | 10.00000 |
| fruit ices | 10.00000 |
| gelatins / puddings | 10.00000 |
| granulated sugar | - |
| gravies | 5.00000 |
| hard candy | 30.00000 |
| imitation dairy | - |
| instant coffee / tea | 2.00000 |
| jams / jellies | 20.00000 |
| meat products | - |
| milk products | 5.00000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 5.00000 |
| snack foods | 5.00000 |
| soft candy | 30.00000 |
| soups | 1.00000 |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
citrinone
(E+Z)-4,8-
dimethyl nona-3,7-dien-2-one
(E) & (Z)-4,8-
dimethyl-3,7-nonadien-2-one
(E) and (Z)-4,8-
dimethyl-3,7-nonadien-2-one
4,8-
dimethylnona-3,7-dien-2-one
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