Articles:
| US Patents: | 3,952,024 - Furfurylthioacetone |
| US Patents: | Certain 2,5-dimethyl-3-thiopyrazines |
1-(methylthio)-2-butanone
Notes:
Constit. of coffee concentrate. Flavouring agent
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 13678-58-5 1-(Methyl Thio)-2-butanone
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 13-69750 1-(METHYLTHIO)-2-BUTANONE
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R C Treatt and Co Ltd Innovative ingredient solutions World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries. We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products. Email: Enquiries US Email: Enquiries Voice: +44 (0) 1284 702500 Fax: +44 (0) 1284 703809 US Voice: +1 863 668 9500 US Fax: +1 863 668 3388 Twitter Linkedin Youtube News Product(s): 1-(Methylthio)-2-butanone
Used in blue cheese, fish, and tomato flavours.
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Qingdao Free Trade Zone United International Co Ltd Quality Products A partner in your supply chain solution. Qingdao Free Trade Zone United International Trade Co., Ltd.was founded in 1996, specializing in the production and import and export of food additives,flavor raw materials and pharmaceutical and chemical raw materials. The company has experienced R&D and business personnel,product quality, low price, efficient service and fast insight and grasp the latest market information. Email: Info Email: Sales Voice: +86-532-83893699 Fax: +86-532-83893695 Product(s): 9036 Methylthio Butanone
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| CAS Number: | 13678-58-5 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 237-169-7 | |
| FDA UNII: | KPY19W300G | |
| Nikkaji Web: | J277.983H | |
| CoE Number: | 11543 | |
| XlogP3-AA: | 1.10 (est) | |
| Molecular Weight: | 118.19890000 | |
| Formula: | C5 H10 O S | |
| NMR Predictor: | Predict (works with chrome, Edge 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: | 496 1-(methylthio)-2-butanone |
| DG SANTE Food Flavourings: | 12.041 1-(methylthio)butan-2-one |
| FEMA Number: | 3207 1-(methylthio)-2-butanone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 13678-58-5 ; 1-(METHYLTHIO)-2-BUTANONE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 52.00 to 53.00 °C. @ 8.00 mm Hg |
| Vapor Pressure: | 2.316000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 122.00 °F. TCC ( 50.00 °C. ) |
| logP (o/w): | 0.959 (est) |
| Soluble in: | |
| alcohol | |
| water, 5.194e+004 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: mushroom | |
| mushroom garlic oily fishy | |
| Odor Description: at 0.10 % in propylene glycol. | mushroom garlic oily fishy |
| fresh radish mustard horseradish wasabi alliaceous onion savory metallic vegetable | |
| Odor Description: at 0.10 %. | fresh radish, mustard, horseradish and wasabi like with alliaceous onion and savory metallic and vegetative nuances. Mosciano, Gerard, (2009) |
| Flavor Type: sulfurous | |
| green sweet fatty earthy mushroom | |
| Taste Description: | green, sweet, fatty, earthy mushroom |
| sulfurous cabbage radish horseradish toasted onion dairy | |
| Taste Description: at 1.00 ppm. | sulfurous, cabbage and radish, horseradish, toasted onion and dairy like nuances Mosciano, Gerard, (2009) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 1-(Methyl Thio)-2-butanone |
| DeLong Chemicals America |
| 1-(Methylthio)-2-butanone, Kosher |
| Parchem |
| 1-(methyl thio)-2-butanone |
| Penta International |
| 1-(METHYLTHIO)-2-BUTANONE |
| R C Treatt & Co Ltd |
| 1-(Methylthio)-2-butanone
Flavor: Oily, fishy at 10ppm. Used in blue cheese, fish, and tomato flavours. |
| United International |
| Methylthio Butanone |
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 1-(methyl thio)-2-butanone usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.0037 (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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 1.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 1.00000 | |
| 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: | - | 1.00000 | |
| 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 Substance Registry Services (TSCA): | 13678-58-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61656 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 1-methylsulfanylbutan-2-one | |
| Chemidplus: | 0013678585 |
References:
| 1-methylsulfanylbutan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 13678-58-5 |
| Pubchem (cid): | 61656 |
| Pubchem (sid): | 135017468 |
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): | HMDB37193 |
| FooDB: | FDB016195 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 1-(Methylthio)-2-butanone |
Potential Blenders and core components note
Potential Uses:
| cheese blue cheese | FL | |
| coffee | FL | |
| fish | FL | |
| mushroom | FL | |
| tomato | FL |
Occurrence (nature, food, other): note
| coffee Search PMC Picture |
Synonyms:
| 2- | butanone, 1-(methylthio)- |
| 1- | methyl thio-2-butanone |
| 1-( | methyl thio) butan-2-one |
| 1- | methyl thiobutan-2-one |
| 1-( | methylsulfanyl)butan-2-one |
| 1- | methylsulfanylbutan-2-one |
| 1- | methylthio-2-butanone |
| 1-( | methylthio)-2-butanone |
| 1-( | methylthio)butan-2-one |
| 2- | thia-4-hexanone |