Articles:
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4-(methylthio)-2-oxobutanoic acid
Notes:
Found in provolone cheese. Flavouring agent
4-Methylthio-2-oxobutanoic acid is the direct precursor of methional, which is a potent inducer of apoptosis in a BAF3 murine lymphoid cell line which is interleukin-3 (IL3)-dependent. (PMID 7848263)
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 583-92-6 |  3D/inchi
|
| FDA UNII: | 286060413U | |
| Nikkaji Web: | J39.561G | |
| Beilstein Number: | 1754666 | |
| XlogP3-AA: | 0.30 (est) | |
| Molecular Weight: | 148.18136000 | |
| Formula: | C5 H8 O3 S | |
| 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 |
| JECFA Food Flavoring: | 501 4-(methyl thio)-2-oxobutanoic acid |
| DG SANTE Food Flavourings: | 12.176 4-(methylthio)-2-oxobutyric acid |
| FEMA Number: | 3881 4-(methylthio)-2-oxobutanoic acid |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 583-92-6 ; 4-(METHYLTHIO)-2-OXOBUTANOIC ACID |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 252.00 to 256.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 229.00 °F. TCC ( 109.44 °C. ) |
| logP (o/w): | -0.641 (est) |
| Soluble in: | |
| alcohol | |
| water, 7.102e+005 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. |
| Butanoic acid,4-(methylthio)-2-oxo- |
| BOC Sciences |
| For experimental / research use only. |
| 4-methylsulfanyl-2-oxo-butanoic acid |
| Parchem |
| 4-(methyl thio)-2-oxobutyric acid |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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 4-(methyl thio)-2-oxobutyric acid usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| Structure Class: | III | ||
| 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: 18 | |||
| Click here to view publication 18 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | 0.50000 | 5.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.10000 | 5.00000 | |
| confectionery froastings: | 0.10000 | 5.00000 | |
| egg products: | - | - | |
| fats / oils: | 0.30000 | 5.00000 | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.50000 | 5.00000 | |
| jams / jellies: | - | - | |
| meat products: | 0.50000 | 5.00000 | |
| milk products: | 0.50000 | 5.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | 0.30000 | 5.00000 | |
| processed fruits: | - | - | |
| processed vegetables: | 0.10000 | 5.00000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | 1.00000 | 5.00000 | |
| 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 |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 473 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 4-methylsulfanyl-2-oxobutanoic acid | |
| Chemidplus: | 0000583926 |
References:
| 4-methylsulfanyl-2-oxobutanoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 473 |
| Pubchem (sid): | 134978449 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| KEGG (GenomeNet): | C01180 |
| HMDB (The Human Metabolome Database): | HMDB01553 |
| FooDB: | FDB011626 |
| YMDB (Yeast Metabolome Database): | YMDB00421 |
| 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
| cheese Search PMC Picture |
Synonyms:
| butanoic acid, 4-(methylthio)-2-oxo- | |
| butanoic acid, 4-methylthio-2-oxo- | |
| butyric acid, 4-(methylthio)-2-oxo- | |
| alpha-keto-gamma- | methiol butyrate |
| gamma- | methiol-keto-butyric acid |
| alpha-keto | methionine |
| alpha-oxo | methionine |
| 4- | methyl thio-2-ketobutyric acid |
| 4- | methyl thio-2-oxobutanoate |
| 4- | methyl thio-2-oxobutanoic acid |
| 2-keto-4-( | methyl thio) butyric acid |
| 4-( | methyl thio)-2-oxobutanoic acid |
| 2-keto-4- | methyl thiobutanoic acid |
| 2-keto-4- | methyl thiobutyric acid |
| alpha-oxo-gamma- | methyl thiobutyric acid |
| S- | methyl-alpha-ketobutyric acid |
| 4- | methylsulfanyl-2-oxobutanoic acid |
| 4-( | methylsulfanyl)-2-oxobutanoic acid |
| 4- | methylthio-2-ketobutyric acid |
| 4- | methylthio-2-oxobutanoic acid |
| 4-( | methylthio)-2-oxo-butanoic acid |
| 4-( | methylthio)-2-oxobutanoic acid |
| 4-( | methylthio)-2-oxobutyric acid |
| 2-keto-4-( | methylthio)butyric acid |
| 2-oxo-4- | methylthiobutanoate |
| 2-keto-4- | methylthiobutanoic acid |
| 2-oxo-4- | methylthiobutanoic acid |
| keto-4- | methylthiobutyrate |
| 2-keto-4- | methylthiobutyric acid |
| 2-keto-4- | thiomethyl butyrate |
| 2-keto | thiomethyl butyric acid |
| 2-oxo-4- | thiomethyl butyric acid |
| 2-keto | thiomethylbutyric acid |
| 2-oxo-4- | thiomethylbutyric acid |