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methylthiomethyl butyrate
Notes:
Flavouring agent esp. for seasonings
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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): 74758-93-3 Methylthiomethyl Butyrate 95%
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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): 13-70550 METHYLTHIOMETHYL BUTYRATE
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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): Methylthiomethyl butyrate NI, Kosher
Used at 2ppm, in exotic fruit and dairy flavours. Very slightly soluble in water. Soluble in alcohols and oils.
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| CAS Number: | 74758-93-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 277-989-2 | |
| FDA UNII: | 9PF86RKU3Z | |
| Nikkaji Web: | J349.458F | |
| CoE Number: | 12187 | |
| XlogP3-AA: | 1.70 (est) | |
| Molecular Weight: | 148.22504000 | |
| Formula: | C6 H12 O2 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: | 473 methylthiomethyl butyrate |
| DG SANTE Food Flavourings: | 12.187 methylthiomethyl butyrate |
| FEMA Number: | 3879 methylthiomethyl butyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 74758-93-3 ; METHYLTHIOMETHYL BUTYRATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.94300 to 0.94800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.847 to 7.888 |
| Refractive Index: | 1.45400 to 1.46400 @ 20.00 °C. |
| Boiling Point: | 182.00 to 183.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.818000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 155.00 °F. TCC ( 68.33 °C. ) |
| logP (o/w): | 1.885 (est) |
| Soluble in: | |
| alcohol | |
| oils | |
| water, very slightly | |
| water, 4534 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| sulfurous musty onion fruity tropical metallic vegetable | |
| Odor Description: at 0.10 % in propylene glycol. | sulfurous musty onion fruity tropical metallic vegetable |
| sulfurous musty onion savory fruity tropical vegetable | |
| Odor Description: | Sulfureous, musty, onion, savory, fruity and tropical with vegetative nuances Mosciano, Gerard P&F 20, No. 5, 49, (1995) |
| Flavor Type: sulfurous | |
| sulfurous savory eggy vegetable onion fruity tropical | |
| Taste Description: at 2.00 ppm. | Sulfureous, savory, eggy, vegetative and onion with fruity, tropical nuances Mosciano, Gerard P&F 20, No. 5, 49, (1995) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Methylthiomethyl Butyrate 95% |
| DeLong Chemicals America |
| Methylthiomethyl butyrate, Kosher |
| Penta International |
| METHYLTHIOMETHYL BUTYRATE |
| R C Treatt & Co Ltd |
| Methylthiomethyl butyrate
NI, Kosher Odor: Metallic, tropical fruit Flavor: tropical Used at 2ppm, in exotic fruit and dairy flavours. Very slightly soluble in water. Soluble in alcohols and oils. |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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 thiomethyl butyrate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (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: 18 | |||
| Click here to view publication 18 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.00000 | 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: | 1.00000 | 2.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 1.00000 | 10.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | 0.50000 | 5.00000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 500.00000 | 500.00000 | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | 1.00000 | 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 : | 3018539 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| methylsulfanylmethyl butanoate | |
| Chemidplus: | 0074758933 |
References:
| methylsulfanylmethyl butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 3018539 |
| Pubchem (sid): | 135249569 |
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): | HMDB38299 |
| FooDB: | FDB017628 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | Methylthiomethyl butyrate |
Potential Blenders and core components note
Potential Uses:
| dairy | FL | |
| fruit tropical fruit | FL | |
| garlic | FL | |
| mango | FL | |
| onion | FL | |
| papaya | FR | |
| pineapple | FL | |
| tropical | FL |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| butanoic acid, (methylthio)methyl ester | |
| methyl 2-methyl thiobutyrate | |
| ( | methyl thio) methyl butyrate |
| (( | methyl thio)methyl) butyrate |
| ( | methyl thiomethyl) butyrate |
| ( | methylsulfanyl)methyl butyrate |
| methylsulfanylmethyl butanoate | |
| ( | methylthio)methyl butyrate |
| (( | methylthio)methyl)butyrate |
| ( | methylthio)methylbutyrate |
| methylthiomethyl butyrate | |
| ( | methylthiomethyl)butyrate |