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methyl 4-(methyl thio) butyrate
General Material Information
| Preferred name | methyl 4-(methyl thio) butyrate |
| Trivial Name | Methyl 4-(methylthio)butanoate |
| Short Description | methyl 4-(methylthio)butyrate |
| Formula | C6 H12 O2 S |
| CAS Number | 53053-51-3 |
| FEMA Number | 3412 |
| Flavis Number | 12.06 |
| ECHA Number | 258-328-7 |
| FDA UNII | 36I1Z35638 |
| Nikkaji Number | J295.868F |
| MDL | MFCD00009849 |
| COE Number | 11526 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 474 methyl 4-(methylthio)butyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 53053-51-3 ; METHYL 4-(METHYLTHIO)BUTYRATE |
| 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): | HMDB37619 |
| FooDB: | FDB016733 |
| Export Tariff Code: | 2930.90.9165 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | Methyl 4-(methylthio)butyrate |
Suppliers
| Bedoukian Research | BOC Sciences |
| Penta International | R C Treatt & Co Ltd |
| Santa Cruz Biotechnology | Synerzine |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 148.22503662109 |
| Vapor Pressure | 0.311 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 85 °C TCC |
| logP (o/w) | 1.225 est |
| Solubility | |
| alcohol | Yes |
| water, 4534 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Sulfurous | |
| sulfurous, cabbage, fruity, pineapple, cheesy | |
| Odor strength | high , recommend smelling in a 0.10 % solution or less |
| Substantivity | 196 hour(s) at 100.00 % |
| Luebke, William tgsc, (1996) | At 0.10 % in propylene glycol. sulfury cabbage fruity pineapple cheese |
| Flavor Type: Sulfurous | |
| sulfurous, garlic, onion green onion, chive, green, cheesy | |
| Luebke, William tgsc, (1996) | Sulfurous garlic green onion chive green cheesy |
| Used in garlic, onion, pineapple, wine and citrus flavors. | Garlic |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Flavoring purposes | Cheese , Citrus , Dairy , Fruit tropical fruit , Garlic , Meat , Onion , Pineapple , 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: | |||
| flavoring agents | |||
| Recommendation for methyl 4-(methyl thio) butyrate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.061 (μg/capita/day) | ||
| Structure Class: | I | ||
| 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: 7 | |||
| Click here to view publication 7 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 10.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 10.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 10.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 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): |
| Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 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 :65425 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3334 |
| WGK Germany:3 |
| methyl 4-methylsulfanylbutanoate |
| Chemidplus:0053053513 |