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3-sulfanylbutyl acetate
Notes:
Used as a food additive [EAFUS]
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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): 89534-38-3 3-Mercaptobutyl Acetate
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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): TH0480 3-Mercaptobutyl acetate
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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): TH0480 3-Mercaptobutyl acetate 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): 3-Mercaptobutyl Acetate Kosher
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| CAS Number: | 89534-38-3 |  3D/inchi
|
| FDA UNII: | 8D8DW6O2XV | |
| MDL: | MFCD08741459 | |
| XlogP3-AA: | 1.20 (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: | 1705 (+/-)-3-mercapto-1-butyl acetate |
| FEMA Number: | 4325 (+/-)-3-mercapto-1-butyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 89534-38-3 ; (+/-)-3-MERCAPTO-1-BUTYL ACETATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.02500 to 1.02900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.529 to 8.562 |
| Refractive Index: | 1.45800 to 1.45900 @ 20.00 °C. |
| Boiling Point: | 77.00 °C. @ 10.00 mm Hg |
| Vapor Pressure: | 0.415000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 171.00 °F. TCC ( 77.22 °C. ) |
| logP (o/w): | 1.598 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 2642 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: at 0.10 % in propylene glycol. | fruity |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 1,3-Butanedithiol,1-acetate |
| BOC Sciences |
| For experimental / research use only. |
| 3-Mercaptobutyl Acetate |
| Carbosynth |
| For experimental / research use only. |
| 3-Mercaptobutyl acetate |
| Endeavour Specialty Chemicals |
| 3-Mercaptobutyl acetate |
| Speciality Chemical Product Groups |
| Parchem |
| (±)-3-Mercapto-1-butyl Acetate |
| R C Treatt & Co Ltd |
| 3-Mercaptobutyl Acetate
Kosher |
| Robinson Brothers |
| 3-Mercaptobutyl acetate F&F |
| https://www.robinsonbrothers.uk/chemistry-competences |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3-mercaptobutyl acetate |
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 (±)-3-mercapto-1-butyl acetate usage levels up to: | |||
| not for fragrance use. | |||
| NOEL (No Observed Effect Level): | 0.7 (mg/kg bw per day) | ||
| 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: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.50000 | 3.00000 | |
| beverages(nonalcoholic): | 0.20000 | 1.00000 | |
| beverages(alcoholic): | 0.20000 | 1.00000 | |
| breakfast cereal: | 0.20000 | 2.00000 | |
| cheese: | 0.50000 | 2.00000 | |
| chewing gum: | 0.20000 | 2.00000 | |
| condiments / relishes: | 0.20000 | 1.00000 | |
| confectionery froastings: | 0.20000 | 1.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.10000 | 1.00000 | |
| fruit ices: | 0.10000 | 1.00000 | |
| gelatins / puddings: | 0.20000 | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.50000 | 2.00000 | |
| imitation dairy: | 0.20000 | 1.00000 | |
| instant coffee / tea: | 0.20000 | 1.00000 | |
| jams / jellies: | 0.20000 | 1.00000 | |
| meat products: | - | - | |
| milk products: | 0.10000 | 1.00000 | |
| nut products: | 0.20000 | 1.00000 | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 0.10000 | 1.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 10.00000 | 1000.00000 | |
| snack foods: | 0.20000 | 1.00000 | |
| soft candy: | 0.20000 | 1.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.20000 | 1.00000 | |
Safety References:
| 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 : | 6430878 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 3-sulfanylbutyl acetate | |
| Chemidplus: | 0089534383 |
References:
| 3-sulfanylbutyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6430878 |
| Pubchem (sid): | 135320112 |
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): | Search |
| FooDB: | FDB009788 |
| Export Tariff Code: | 2915.39.0090 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 1,3- | butanedithiol,1-acetate |
| 1- | butanol, 3-mercapto-, acetate |
| (+/-)-3- | mercapto-1-butyl acetate |
| 3- | mercaptobutyl acetate |
| 3- | sulfanylbutyl acetate |
| 3- | thiobutyl acetate |