Articles:
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trans-4,8-dimethyl-3,7-nonadien-2-one
Notes:
Used as a food additive [EAFUS]
| CAS Number: | 27539-94-2 |  3D/inchi
|
| FDA UNII: | UCA9GL2877 | |
| Nikkaji Web: | J705.165D | |
| XlogP3-AA: | 3.30 (est) | |
| Molecular Weight: | 166.26366000 | |
| Formula: | C11 H18 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| FEMA Number: | 3969 (E)-4,8-dimethyl-3,7-nonadien-2-one |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 27539-94-2 ; 4,8-DIMETHYL-3,7-NONADIEN-2-ONE, TRANS- |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 150.00 to 151.00 °C. @ 760.00 mm Hg (est) |
| 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 and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 3,7-Nonadien-2-one, 4,8-dimethyl-, (3E)- |
| Parchem |
| (E)-4,8-dimethyl-3,7-nonadien-2-one |
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 | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| 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:
| 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 |
| (3E)-4,8-dimethylnona-3,7-dien-2-one | |
| Chemidplus: | 0027539942 |
References:
| (3E)-4,8-dimethylnona-3,7-dien-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6536892 |
| Pubchem (sid): | 135295013 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB009323 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| baccharis dracunculifolia oil brazil @ 0.10% Data GC Search Trop Picture | |
| not found in nature |
Synonyms:
| (E)-4,8- | dimethyl nona-3,7-dien-2-one |
| trans-4,8- | dimethyl-3,7-nonadien-2-one |
| (3E)-4,8- | dimethylnona-3,7-dien-2-one |
| 3,7- | nonadien-2-one, 4,8-dimethyl-, (3E)- |