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methyl citronellate
General Material Information
| Preferred name | methyl citronellate |
| Trivial Name | Methyl (±)-citronellate |
| Short Description | methyl 3,7-dimethyl-6-octenoate |
| Formula | C11 H20 O2 |
| CAS Number | 2270-60-2 |
| FEMA Number | 3361 |
| Flavis Number | 9.517 |
| ECHA Number | 218-874-9 |
| FDA UNII | 6J2YGF6EUY |
| Nikkaji Number | J99.450B |
| COE Number | 10781 |
| xLogP3-AA | 3.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 354 methyl 3,7-dimethyl-6-octenoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 2270-60-2 ; METHYL 3,7-DIMETHYL-6-OCTENOATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| methyl 3,7-dimethyloct-6-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2270-60-2 |
| Pubchem (cid): | 61290 |
| Pubchem (sid): | 135017301 |
| Pherobase: | View |
| Publications by US Patents | |
| 7,927,643 - Compositions of oxo-terpene derivatives and process for preparing the same | |
| Compositions of oxo-terpene derivatives and process for preparing the same | |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB37225 |
| FooDB: | FDB016232 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 184.27879333496 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.464 to 7.547 |
| Refractive Index | 1.437 to 1.443 @ 20 °C |
| Vapor Pressure | 0.078 mmHg @ 25 °C |
| Flash Point TCC Value | 76.11 °C TCC |
| logP (o/w) | 3.687 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, very slightly | Yes |
| water, 17.56 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| floral, dry, weedy, dusty, waxy, geranium, fatty, fruity, winey, sweet | |
| Luebke, William tgsc, (2017) | At 10.00 % in dipropylene glycol. floral dry weedy dusty waxy geranium fatty fruity winey |
| Mosciano, Gerard P&F 26, No. 2, 40, (2001) | At 1.00 %. Sweet geranium floral and waxy, with winey and fruity nuances |
| Flavor Type: Floral | |
| floral, waxy, tea, bergamot, rose, winey, weedy, geranium, soapy, cognac | |
| Luebke, William tgsc, (2017) | Floral waxy tea bergamot rose winey weedy |
| Mosciano, Gerard P&F 26, No. 2, 40, (2001) | At 1.00 - 25.00 ppm. Floral with rosy bergamot and geranium notes, waxy and soapy, cognac and winey nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apricot , Bergamot , Citrus , Cognac , Pear , Rose tea rose , Wine |
Safety Information
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 methyl citronellate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.13 (μg/capita/day) | ||
| 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: 6 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 3.00000 | |
| beverages(nonalcoholic): | - | 1.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 1.50000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf |
| Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):2270-60-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61290 |
| National Institute of Allergy and Infectious Diseases:Data |
| methyl 3,7-dimethyloct-6-enoate |
| Chemidplus:0002270602 |