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3-sulfanylhexyl butanoate
Notes:
Flavouring agent
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Alfrebro LLC/ Archer Daniels Midland Company Let's get reacquainted Building great taste with aroma chemicals, extracts, and distillates The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals. Email: Sarah Forbis Email: Sales Voice: 513-539-3021 Fax: 513-539-7372 US Voice: 513-539-7373 Newsroom Product(s): 3-Mercaptohexyl Butyrate 0.1% in ETOH, Natural
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Axxence Aromatic GmbH We bring nature to your flavour Dedicated to provide the best possible quality and supply service of natural aroma ingredients. Axxence Aromatic is entirely dedicated to provide the best possible quality and supply service of natural aroma ingredients to the Flavour & Fragrance Industry worldwide. Email: Service Voice: +49.2822.68561.0 Fax: +49.2822.68561.39 Sustainability Products List: View Product(s): 385220 3-MERCAPTOHEXYL BUTYRATE Natural Kosher
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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): 136954-21-7 3-Mercaptohexyl Butyrate
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Endeavour Specialty Chemicals Ltd Expertise in high impact aroma chemicals Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale. Speciality Chemical has more than 25 years experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavours products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site. Email: Info Email: Sales Voice: +44 (0)1327 310 079 Fax: +44 (0)1327 310 701 Twitter Linkedin News Speciality Chemical Product Groups Product(s): TH0320 3-Mercaptohexyl butyrate 98% F&F
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Excellentia International Ingredients by Nature Exceptional quality and excellence in meeting our customers requirements. Excellentia International was founded in 2010 through the merger of Excellentia Flavors LLC and Polarome International. Collectively, these companies account for more than one hundred years of industry experience, and are recognized for exceptional quality and excellence in meeting our customers’ requirements. Email: Info Email: Sales Email: Regulatory Voice: 732.749.9840 Our Services Product(s): 3-Mercapto Hexyl Butyrate Natural
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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): 13-15653 3-MERCAPTOHEXYL BUTYRATE 13-15654 3-MERCAPTOHEXYL BUTYRATE NATURAL
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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): TH0320 3-Mercaptohexyl butyrate F&F
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Taytonn ASCC Pte Ltd Supplying Asia Pacific We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service. Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers. Email: Info Email: Sales Voice: + 65 - 6861 8113 Fax: + 65 - 6861 8115 Linkedin Product(s): 3-Mercaptohexyl 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): 3-Mercaptohexyl butyrate Halal, Kosher
Use: tropical fruits at 0.5-1ppm; and for roasted savory notes in chicken, pork.
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| CAS Number: | 136954-21-7 |  3D/inchi
|
| FDA UNII: | RGA574NASM | |
| Nikkaji Web: | J676.706K | |
| MDL: | MFCD08457873 | |
| XlogP3-AA: | 2.90 (est) | |
| Molecular Weight: | 204.33280000 | |
| Formula: | C10 H20 O2 S | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| Also(can) Contains: | 3-thiohexanol 5.00% to 6.00% | |
| EFSA/JECFA Comments: | At least 90%; secondary component 5-6% 3-mercaptohexanol. (JECFA) | |
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: | 555 3-mercaptohexyl butyrate |
| DG SANTE Food Flavourings: | 12.235 3-mercaptohexyl butyrate |
| FEMA Number: | 3852 3-mercaptohexyl butyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 136954-21-7 ; 3-MERCAPTOHEXYL BUTYRATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96000 to 0.96500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.988 to 8.030 |
| Refractive Index: | 1.45900 to 1.46900 @ 20.00 °C. |
| Boiling Point: | 196.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.006000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 210.00 °F. TCC ( > 98.89 °C. ) |
| logP (o/w): | 3.602 (est) |
| Soluble in: | |
| alcohol | |
| heptane | |
| water, 29.87 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| sulfurous passion fruit fruity tropical fruit overripe fruit | |
| Odor Description: at 0.10 % in dipropylene glycol. | sulfurous passion fruit fruity tropical overripe fruit |
| Flavor Type: tropical | |
| tropical fruity roasted savory | |
| Taste Description: | tropical fruity roasted savory |
| Odor and/or flavor descriptions from others (if found). | |
| R C Treatt & Co Ltd | |
| 3-Mercaptohexyl butyrate Halal, Kosher | |
| Odor Description: | sulphurous, tropical fruit, passionfruit |
| Taste Description: | tropical Use: tropical fruits at 0.5-1ppm; and for roasted savory notes in chicken, pork. |
| Alfrebro | |
| 3-Mercaptohexyl Butyrate 0.1% in ETOH, Natural | |
| Odor Description: | Sulfurous Passion Fruit Over Ripe fruit |
Cosmetic Information:
| None found |
Suppliers:
| Alfrebro |
| 3-Mercaptohexyl Butyrate 0.1% in ETOH, Natural
Odor: Sulfurous Passion Fruit Over Ripe fruit |
| Axxence Aromatic |
| 3-MERCAPTOHEXYL BUTYRATE Natural
Kosher |
| Sustainability |
| BOC Sciences |
| For experimental / research use only. |
| 3-Mercaptohexyl Butyrate |
| Endeavour Specialty Chemicals |
| 3-Mercaptohexyl butyrate 98% F&F |
| Speciality Chemical Product Groups |
| Excellentia International |
| 3-Mercapto Hexyl Butyrate Natural |
| Penta International |
| 3-MERCAPTOHEXYL BUTYRATE NATURAL |
| Penta International |
| 3-MERCAPTOHEXYL BUTYRATE |
| R C Treatt & Co Ltd |
| 3-Mercaptohexyl butyrate
Halal, Kosher Odor: sulphurous, tropical fruit, passionfruit Flavor: tropical Use: tropical fruits at 0.5-1ppm; and for roasted savory notes in chicken, pork. |
| Robinson Brothers |
| 3-Mercaptohexyl butyrate F&F |
| https://www.robinsonbrothers.uk/chemistry-competences |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3-Mercaptohexyl Butyrate |
| Taytonn ASCC |
| 3-Mercaptohexyl Butyrate
Odor: Fruity, Sulphurous, Tropical, Vegetable |
Safety Information:
| Preferred SDS: View | |
| 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 3-mercaptohexyl 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: | 0.02000 | 0.20000 | |
| beverages(nonalcoholic): | 0.00500 | 0.05000 | |
| beverages(alcoholic): | 0.01000 | 0.10000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 0.05000 | 0.30000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.01000 | 0.10000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.01000 | 0.10000 | |
| fruit ices: | 0.01000 | 0.10000 | |
| gelatins / puddings: | 0.01000 | 0.10000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.01000 | 0.10000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 0.01000 | 0.10000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 0.01000 | 0.10000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 0.01000 | 0.10000 | |
| soups: | - | - | |
| 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 : | 537754 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 3-sulfanylhexyl butanoate | |
| Chemidplus: | 0136954217 |
References:
| Leffingwell: | Chirality or Article |
| 3-sulfanylhexyl butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 537754 |
| Pubchem (sid): | 135215474 |
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): | HMDB38948 |
| FooDB: | FDB018426 |
| Export Tariff Code: | 2930.90.9999 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 3-Mercaptohexyl butyrate |
Potential Blenders and core components note
Potential Uses:
| chicken | FL | |
| citrus | FL | |
| fruit tropical fruit | FL | |
| passion fruit | FR | |
| pork | FL | |
| roasted | FL | |
| sandalwood | FR | |
| savory | FL |
Occurrence (nature, food, other): note
| passion fruit Search Trop Picture | |
| passion fruit juice Search Trop Picture |
Synonyms:
| butanoic acid 3-mercaptohexyl ester | |
| butanoic acid, 3-mercaptohexyl ester | |
| 3- | mercaptohexyl butanoate |
| 3- | mercaptohexyl butyrate natural |
| 3- | sulfanylhexyl butanoate |
| 3- | sulfanylhexyl butyrate |
| 3- | thiohexyl butanoate |
| 3- | thiohexyl butyrate |