Articles:
| Google Patents: | Flavoring ingredients |
| US Patents: | 7,794,767 - Flavoring ingredients |
| Leffingwell & Associates: | Flavor Properties of FEMA GRAS List 25 flavor chemicals |
(±)-3-hydroxy-3-methyl-2,4-nonanedione
Notes:
None found
| Flavor Demo Formulas | ||
| CAS Number: | 544409-58-7 |  3D/inchi
|
| FDA UNII: | KR08256859 | |
| Nikkaji Web: | J1.919.634H | |
| XlogP3-AA: | 1.30 (est) | |
| Molecular Weight: | 186.25106000 | |
| Formula: | C10 H18 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring 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: | 4687 (±)-3-hydroxy-3-methyl-2,4-nonanedione |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 544409-58-7 ; (±)-3-HYDROXY-3-METHYL-2,4-NONANEDIONE |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 275.00 to 276.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 275.00 °F. TCC ( 134.80 °C. ) (est) |
| logP (o/w): | 3.390 (est) |
| Soluble in: | |
| alcohol | |
| water, 719 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: earthy | |
| rubbery earthy plastic | |
| Odor Description: at 100.00 %. | rubbery earthy plastic |
| Flavor Type: hay | |
| hay fruity | |
| Taste Description: | straw fruity |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| lactadione |
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: | flavoring agents | ||
| Recommendation for lactadione usage levels up to: | |||
| not for fragrance use. | |||
| 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: 25 | |||
| Click here to view publication 25 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 5.00000 | 20.00000 | |
| beverages(nonalcoholic): | 1.00000 | 3.00000 | |
| beverages(alcoholic): | 5.00000 | 20.00000 | |
| breakfast cereal: | 2.00000 | 10.00000 | |
| cheese: | 5.00000 | 20.00000 | |
| chewing gum: | 10.00000 | 20.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 1.00000 | 5.00000 | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 30.00000 | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 5.00000 | |
| fruit ices: | 1.00000 | 3.00000 | |
| gelatins / puddings: | 1.00000 | 3.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 1.00000 | 5.00000 | |
| imitation dairy: | 5.00000 | 30.00000 | |
| instant coffee / tea: | 1.00000 | 3.00000 | |
| jams / jellies: | 1.00000 | 3.00000 | |
| meat products: | 2.00000 | 5.00000 | |
| milk products: | 5.00000 | 30.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 100.00000 | 2000.00000 | |
| snack foods: | 5.00000 | 20.00000 | |
| soft candy: | 1.00000 | 5.00000 | |
| soups: | 1.00000 | 10.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 1.00000 | 10.00000 | |
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 : | 12003251 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 3-hydroxy-3-methylnonane-2,4-dione | |
| Chemidplus: | 0544409587 |
References:
| 3-hydroxy-3-methylnonane-2,4-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 12003251 |
| Pubchem (sid): | 36495562 |
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 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| fruity | ||
| alpha- | amyl cinnamyl isovalerate | FL/FR |
| For Flavor | ||
| earthy | ||
| 2- | thienyl disulfide | FL |
| fruity | ||
| alpha- | amyl cinnamyl isovalerate | FL/FR |
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| tea green tea PbMd Search Trop Picture |
Synonyms:
| (±)-3- | hydroxy-3-methyl nonane-2,4-dione |
| 3- | hydroxy-3-methyl-2,4-nonadione |
| (±)-3- | hydroxy-3-methyl-2,4-nonane dione |
| (±)-3- | hydroxy-3-methyl-2,4-nonanedione |
| (±)-3- | hydroxy-3-methylnonane-2,4-dione |
| 3- | hydroxy-3-methylnonane-2,4-dione |
| 2,4- | nonadione, 3-hydroxy-3-methyl- |