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S-methyl hexanethioate
Notes:
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Charkit Chemical Corporation The Specialty Chemical Specialists Explore this website to discover the products and services that Charkit provides for your industry and please contact us directly to find out how we can be of service to you. about: Since 1982, Charkit has been committed to expanding the markets we serve as our roster of products and services continues to grow with us. Our substantial portfolio of personal care ingredients now include a wide array of luxury and exotic components to compliment the key products we have always offered. We have expanded our offerings to the nutraceutical, industrial, and resin markets with a growing roster of versatile and unique ingredients. We continue to lead the way in our traditional markets such as Metal and Water Treatment, Imaging, Flavor & Fragrance, Aroma and Food. Our Pharmaceutical offerings continue to expand, still anchored by the Boronic Derivatives that meet the demands of Suzuki coupling reactions. Please contact us to learn how we can help you reach your goals. Email: Sales Voice: 203-299-3220 Fax: 203-299-1355 Facebook Twitter Linkedin Latest News Events Blog Products List: View Product(s): METHYL THIOHEXANOATE M2934
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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): 13-50500 S-METHYL HEXANETHIOATE 13-50499 S-METHYL HEXANETHIOATE NATURAL NEAT 13-50501 S-METHYL HEXANETHIOATE NATURAL 1% IN ETHYL ALCOHOL
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Robinson Brothers Limited Providing Excellence in Chemistry Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Based in the UK, Robinson Brothers is an award-winning chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Robinson Brothers serve many industry sectors across the globe, include: flavour/fragrance, pharmaceutical, agrochemical and material sciences. Our team of Chemists are experts in custom synthesis, contract manufacture and process optimisation. Email: Info Email: Sales Voice: +44 (0)121 553 2451 Fax: +44 (0)121 500 5183 Twitter Linkedin News And Exhibitions Custom Synthesis Industries And Applications https://www.robinsonbrothers.uk/chemistry-competences Products List: View Product(s): TE0110 S-Methyl thiohexanoate F&F
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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): S-Methyl hexanethioate Halal, Kosher
Useful in passionfruit, tropical fruit, guava, grapefruit in dilution. Also used in vegetable, savoury, tropical fruit, pineapple and cheese flavours. Odour threshold in water: 0.3 ppb. From a range of S-methyl thioesters.
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| CAS Number: | 2432-77-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 219-410-8 | |
| FDA UNII: | MC7G128ACI | |
| Nikkaji Web: | J125.770F | |
| MDL: | MFCD03426527 | |
| XlogP3-AA: | 2.60 (est) | |
| Molecular Weight: | 146.25278000 | |
| Formula: | C7 H14 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 |
| FEMA Number: | 3862 S-methyl hexanethioate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 2432-77-1 ; S-METHYL HEXANETHIOATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.93500 to 0.94500 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.789 to 7.873 |
| Refractive Index: | 1.45800 to 1.46800 @ 20.00 °C. |
| Boiling Point: | 120.00 to 122.00 °C. @ 0.00 mm Hg |
| Boiling Point: | 187.00 to 188.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.638000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 125.00 °F. TCC ( 51.67 °C. ) |
| logP (o/w): | 2.897 (est) |
| Soluble in: | |
| alcohol | |
| water, 1066 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| fruity ethereal green tropical cabbage cheesy rancid floral green | |
| Odor Description: at 0.10 % in dipropylene glycol. | fruity ethereal green tropical cabbage cheesy rancid floral green |
| Odor and/or flavor descriptions from others (if found). | |
| R C Treatt & Co Ltd | |
| S-Methyl hexanethioate Halal, Kosher | |
| Odor Description: | Cabbage, ripe Camembert, rancid, floral green (grass, mature pineapple) |
| Taste Description: | fruity Useful in passionfruit, tropical fruit, guava, grapefruit in dilution. Also used in vegetable, savoury, tropical fruit, pineapple and cheese flavours. Odour threshold in water: 0.3 ppb. From a range of S-methyl thioesters. |
Cosmetic Information:
| None found |
Suppliers:
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 10 - Flammable. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 37/39 - Wear suitable 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 S-(methyl thio) hexanoate usage levels up to: | |||
| not for fragrance use. | |||
| 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: | 0.10000 | 5.00000 | |
| beverages(nonalcoholic): | 0.10000 | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 0.10000 | 5.00000 | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.10000 | 5.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 0.10000 | 5.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.10000 | 5.00000 | |
| milk products: | 0.10000 | 5.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 100.00000 | 1000.00000 | |
| snack foods: | - | - | |
| soft candy: | 0.10000 | 5.00000 | |
| soups: | 0.10000 | 5.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.10000 | 5.00000 | |
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 2432-77-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 75515 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 3272 |
| WGK Germany: | 3 |
| S-methyl hexanethioate | |
| Chemidplus: | 0002432771 |
References:
| S-methyl hexanethioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 75515 |
| Pubchem (sid): | 135032442 |
| Pherobase: | View |
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): | HMDB39465 |
| FooDB: | FDB019069 |
| Export Tariff Code: | 2915.60.9000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| cheese | FL | |
| citrus | FL | |
| dairy | FL | |
| fruit tropical fruit | FL | |
| grapefruit | FR | |
| guava | FR | |
| passion fruit | FR | |
| pineapple | FL | |
| savory | FL | |
| vegetable | FL |
Occurrence (nature, food, other): note
| hop oil Search Trop Picture | |
| mushroom Search PMC Picture |
Synonyms:
| hexane thioic acid S-methyl ester | |
| hexanethioic acid, S-methyl ester | |
| S- | methane thiol caproate |
| S- | methanethiol caproate |
| S- | methyl hexane thioate |
| S- | methyl hexanethioate |
| S- | methyl thiohexanoate |
| S-( | methylthio)hexanoate |