Articles:
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(+/-)-isobutyl 3-methylthiobutyrate
Notes:
Used as a food additive [EAFUS]
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Beijing Lys Chemicals Co, LTD. From Grams to Tons Fine chemical high-tech company which contains R&D, production, and sales. BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services. Email: Mr. Jia Email: Mr. Guo Voice: 86-10-68418738 Fax: 86-10-68418739 Mr. Guo 86-10-68483445 Mr. Guo 86-10-68418739 News Product(s): 10891 Isobutyl 3-methylthiobutyrate
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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): 127931-21-9 isoButyl 3-methylthiobutyrate
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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): ISOBUTYL 3-METHYLTHIOBUTYRATE 1NCI0640 FEMA 4150
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FRUTAROM USA INC, Flavor & Specialty Ingredients Your preferred partner for flavour and fragrance success. Our broad and diverse product portfolio is designed to provide and cater for every flavor and taste profile required by our customer base and incorporates historic, and iconic, market leading products. Email: Info US Email: Info- USA Email: Sales Voice: +44 (0) 1429 863 222 CBD Offering Products List: View Product(s): 441NCI0640 ISOBUTYL 3-METHYLTHIOBUTYRATE KOSHER
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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): 09-43580 (+/-)-ISOBUTYL-3-METHYLTHIO BUTYRATE
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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): IsoButyl 3-methylthiobutyrate
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| CAS Number: | 127931-21-9 |  3D/inchi
|
| FDA UNII: | 3JQI3X5245 | |
| XlogP3-AA: | 2.50 (est) | |
| Molecular Weight: | 190.30586000 | |
| Formula: | C9 H18 O2 S | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | (R) or (S) enantiomer not specified by CASrn in Register. Racemate (EFFA, 2010a). | |
Category: flavor and fragrance 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: | 1677 (+/-)-isobutyl 3-methylthiobutyrate |
| DG SANTE Food Flavourings: | 12.214 isobutyl 3-(methylthio)butyrate |
| FEMA Number: | 4150 (+/-)-isobutyl 3-methylthiobutyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 127931-21-9 ; (+/-)-ISOBUTYL 3-METHYLTHIOBUTYRATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.87500 to 0.88100 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.281 to 7.331 |
| Refractive Index: | 1.45800 to 1.46400 @ 20.00 °C. |
| Boiling Point: | 92.00 to 98.00 °C. @ 760.00 mm Hg (est) |
| Boiling Point: | 224.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.026000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 190.00 °F. TCC ( 87.78 °C. ) |
| logP (o/w): | 2.568 (est) |
| Soluble in: | |
| alcohol | |
| water, 211.8 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| pungent dry strawberry sweet | |
| Odor Description: at 0.10 % in propylene glycol. | pungent dry strawberry sweet |
| Odor and/or flavor descriptions from others (if found). | |
| Taytonn ASCC | |
| IsoButyl 3-methylthiobutyrate | |
| Odor Description: | Dry, Fruity, Sweet |
Cosmetic Information:
| None found |
Suppliers:
| Beijing Lys Chemicals |
| Isobutyl 3-methylthiobutyrate |
| BOC Sciences |
| For experimental / research use only. |
| isoButyl 3-methylthiobutyrate |
| Charkit Chemical |
| ISOBUTYL 3-METHYLTHIOBUTYRATE 1NCI0640 FEMA 4150 |
| Frutarom |
| ISOBUTYL 3-METHYLTHIOBUTYRATE
KOSHER Flavor: Dry, Strawberry, Pungent, Sweet |
| CBD Offering |
| IFF |
| ISOBUTYL 3-METHYLTHIOBUTYRATE
KOSHER Flavor: Dry, Strawberry, Pungent, Sweet |
| Penta International |
| (+/-)-ISOBUTYL-3-METHYLTHIO BUTYRATE |
| Taytonn ASCC |
| IsoButyl 3-methylthiobutyrate
Odor: Dry, Fruity, Sweet |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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: | flavor and fragrance agents | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for isobutyl-3-(methyl thio) butyrate usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 160 (μg/person/day) | ||
| NOEL (No Observed Effect Level): | 1.4 (mg/kg bw per day) | ||
| Threshold of Concern: | 1800 (μg/person/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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.02000 | 2.00000 | |
| beverages(nonalcoholic): | 0.02000 | 1.00000 | |
| beverages(alcoholic): | 0.02000 | 1.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 0.02000 | 1.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.02000 | 1.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.02000 | 1.00000 | |
| fruit ices: | 0.02000 | 1.00000 | |
| gelatins / puddings: | 0.02000 | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.02000 | 1.00000 | |
| imitation dairy: | 0.02000 | 1.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 0.02000 | 1.00000 | |
| meat products: | - | - | |
| milk products: | 0.02000 | 1.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 0.02000 | 1.00000 | |
| processed vegetables: | 0.02000 | 1.00000 | |
| reconstituted vegetables: | 0.02000 | 1.00000 | |
| seasonings / flavors: | 0.02000 | 1.00000 | |
| snack foods: | - | - | |
| soft candy: | 0.02000 | 1.00000 | |
| soups: | - | - | |
| sugar substitutes: | 0.02000 | 1.00000 | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.40000 | 2.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.40000 | 2.00000 | |
| Processed fruit (04.1): | 0.30000 | 1.50000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.40000 | 2.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 | |
| Bakery wares (07.0): | 0.40000 | 2.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.40000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.40000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.20000 | 1.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.40000 | 2.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.20000 | 1.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.40000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.20000 | 1.00000 | |
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 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008) 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 | |
| Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009) View page or View pdf | |
| Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): 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 | |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): 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 : | 54281757 |
| National Institute of Allergy and Infectious Diseases: | Data |
| isobutyl 3-methylsulfanylbutanoate | |
| Chemidplus: | 0127931219 |
References:
| isobutyl 3-methylsulfanylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 54281757 |
| Pubchem (sid): | 135319507 |
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): | HMDB32346 |
| FooDB: | FDB009642 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| cheese | FL | |
| dairy | FL | |
| fruit | FR | |
| fruit tropical fruit | FL | |
| galbanum | FR | |
| strawberry | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| butanoic acid, 3-(methylthio)-, 2-methylpropyl ester | |
| (±)-iso | butyl 3-(methyl thio) butyrate |
| (±)-iso | butyl 3-(methylthio) butyrate |
| iso | butyl 3-(methylthio)butyrate |
| iso | butyl 3-methylsulfanylbutanoate |
| (+/-)-iso | butyl 3-methylthiobutyrate |
| (±)-iso | butyl 3-methylthiobutyrate |
| iso | butyl 3-methylthiobutyrate |
| iso | butyl-3-(methylthio) butyrate |
| (+/-)-iso | butyl-3-methylthio butyrate FCC |
| 2- | methyl propyl 3-(methyl thio) butanoate |
| 2- | methyl propyl 3-(methyl thio) butyrate |
| 3-( | methyl thio) butanoic acid 2-methyl propyl ester |
| 2- | methylpropyl 3-(methylthio) butanoate |
| 2- | methylpropyl 3-(methylthio) butyrate |
| 2- | methylpropyl 3-(methylthio)butanoate |