| Name: | 4,8-dimethylnona-3,7-dien-2-one |
| CAS Number: | 817-88-9 |  3D/inchi
|
| FDA UNII: | 560T9FW4IA |
| Nikkaji Web: | J352.497C |
| XlogP3-AA: | 3.30 (est) |
| Molecular Weight: | 166.26366000 |
| Formula: | C11 H18 O |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| Also(can) Contains: | (E+Z)-4,8-dimethyl-3,7-nonadien-2-ol |
| EFSA/JECFA Comments: |
| Mixture of E/Z stereoisomers: 60-90 % (E) (EFFA, 2012c). Register name to be changed to 4,8-Dimethyl-3,7-nonadiene-2-one.
At least 94%; secondary component 3-4% 4,8-dimethyl-3,7-nonadien-2-ol. (EFSA) |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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 | | | water, 47.5 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Description:at 100.00 %. floral fruity |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
|
Not determined
|
| Dermal Toxicity: |
|
Not determined
|
| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
| Category: | | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment: Search |
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
| 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 |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
| publication number: 20 |
| Click here to view publication 20 |
| | average usual ppm | average maximum ppm |
| baked goods: | 50.00000 | 300.00000 |
| beverages(nonalcoholic): | 1.00000 | 10.00000 |
| beverages(alcoholic): | 5.00000 | 40.00000 |
| breakfast cereal: | 1.00000 | 10.00000 |
| cheese: | - | - |
| chewing gum: | 50.00000 | 250.00000 |
| condiments / relishes: | - | - |
| confectionery froastings: | 5.00000 | 40.00000 |
| egg products: | 5.00000 | 40.00000 |
| fats / oils: | 3.00000 | 150.00000 |
| fish products: | 5.00000 | 40.00000 |
| frozen dairy: | 10.00000 | 60.00000 |
| fruit ices: | 10.00000 | 60.00000 |
| gelatins / puddings: | 10.00000 | 60.00000 |
| granulated sugar: | - | - |
| gravies: | 5.00000 | 30.00000 |
| hard candy: | 30.00000 | 150.00000 |
| imitation dairy: | - | - |
| instant coffee / tea: | 2.00000 | 10.00000 |
| jams / jellies: | 20.00000 | 80.00000 |
| meat products: | - | - |
| milk products: | 5.00000 | 50.00000 |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | 5.00000 | 30.00000 |
| snack foods: | 5.00000 | 30.00000 |
| soft candy: | 30.00000 | 150.00000 |
| soups: | 1.00000 | 10.00000 |
| sugar substitutes: | - | - |
| sweet sauces: | - | - |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
|
European Food Safety Authority (EFSA) reference(s):
|
Scientific Opinion on Flavouring Group Evaluation 206 (FGE.206): Consideration of genotoxicity data on representatives for 12 alpha,beta-unsaturated ketones and precursors from chemical subgroup 1.2.3 of FGE.19 by EFSA
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 (2012)
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf
|
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6536892 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4,8-dimethylnona-3,7-dien-2-one |
| Chemidplus:0000817889 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
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 |
Articles:
|
