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methyl 3-acetoxyoctanoate
General Material Information
| Preferred name | methyl 3-acetoxyoctanoate |
| Trivial Name | Methyl 3-(acetyloxy)octanoate |
| Short Description | methyl 3-acetyloxyoctanoate |
| Formula | C11 H20 O4 |
| CAS Number | 35234-21-0 |
| FEMA Number | 4454 |
| ECHA Number | 252-452-5 |
| FDA UNII | 16KH805BNJ |
| Nikkaji Number | J289.943D |
| xLogP3-AA | 2.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1956 methyl 3-acetoxyoctanoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 35234-21-0 ; METHYL 3-ACETOXYOCTANOATE |
| 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 |
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 |
| FAO: | Methyl 3-acetoxyoctanoate |
Suppliers
| BOC Sciences | Parchem |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 216.2772064209 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.781 to 8.281 |
| Refractive Index | 1.413 to 1.433 @ 20 °C |
| Boiling Point | 217 to 219°C @ 760 mm Hg |
| Vapor Pressure | 0.111 mmHg @ 25 °C |
| Flash Point TCC Value | 92.22 °C TCC |
| logP (o/w) | 2.585 est |
| Solubility | |
| alcohol | Yes |
| water | Yes |
| water, 150.2 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Winey | |
| winey, fruity, green | |
| General comment | At 100.00 %. winey fruity green |
Occurrences
| (data available) |
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 3-acetoxyoctanoate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| 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: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 1.00000 | 5.00000 | |
| beverages(alcoholic): | 0.50000 | 2.50000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | 1.00000 | 5.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 5.00000 | 25.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 2.00000 | 10.00000 | |
| 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
| 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 :529300 |
| National Institute of Allergy and Infectious Diseases:Data |
| methyl 3-acetyloxyoctanoate |
| Chemidplus:0035234210 |