isobutyl-3-(methyl thio) butyrate
(+/-)-isobutyl 3-methylthiobutyrate

Supplier Sponsors

• 
  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.
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  CODE158318 CODE158318
  Product(s):
  10891 Isobutyl 3-methylthiobutyrate

• 
  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.
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  CODE158318 CODE158318
  Product(s):
  127931-21-9 isoButyl 3-methylthiobutyrate

• 
  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.
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  CODE158318 CODE158318
  Product(s):
  ISOBUTYL 3-METHYLTHIOBUTYRATE 1NCI0640 FEMA 4150

• 
  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.
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  Voice: +44 (0) 1429 863 222
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  CODE158318 CODE158318
  Product(s):
  441NCI0640 ISOBUTYL 3-METHYLTHIOBUTYRATE KOSHER

• 
  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
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  US Voice: (973) 740-2300
  US Fax: (973) 740-1839
  CODE158318 CODE158318
  Product(s):
  09-43580 (+/-)-ISOBUTYL-3-METHYLTHIO BUTYRATE

• 
  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.
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  Product(s):
  IsoButyl 3-methylthiobutyrate

Name: isobutyl 3-methylsulfanylbutanoate 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 (05.3): - - 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 For Odor acidic 2- methyl-2-pentenoic acid FL/FR aldehydic green hexanal FL/FR balsamic 1- benzoyl acetone FL/FR methyl (E)-cinnamate FL/FR methyl cinnamate FL/FR iso propyl cinnamate FL/FR buttery acetyl butyryl FL/FR caramellic ethyl maltol FL/FR maltyl isobutyrate FL/FR strawberry furanone FL/FR citrus 2,4- dimethyl-3-cyclohexene-1-methanyl acetate FR dodecane nitrile FR grapefruit oil c.p. california FL/FR grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo) FL/FR grapefruit oil terpeneless FL/FR 2- methyl decanal (aldehyde C-11 MOA) FL/FR bitter orange peel oil FL/FR bitter orange peel oil brazil FL/FR bitter orange peel oil italy FL/FR valencene FL/FR floral boronia butenal FR citronellyl benzoate FL/FR decanal / methyl anthranilate schiff's base FR floral undecenone FR heliotropyl acetate FL/FR (E)-beta- ionone FL/FR iso jasmone FL/FR muguet carbaldehyde FR nerolin fragarol FL/FR bitter orangeflower water absolute FL/FR phenethyl butyrate FL/FR tuberose acetate FR fruity acetyl methyl anthranilate FL/FR berry pentadienoate FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR fruity ketal FL/FR hexyl isovalerate FL/FR leather propionate FR maltyl butyrate FL/FR methyl propionate FL/FR (E)-2- methyl-2-pentenoic acid FL/FR neryl isobutyrate FL/FR 3- phenyl propyl isovalerate FL/FR phenyl propyl valerate FL/FR propyl heptanoate FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR strawberry glycidate 2 FL/FR (S)- styralyl acetate FL/FR green acetaldehyde methyl hexyl acetal FR iso amyl formate FL/FR galbanum resinoid FL/FR geranic acid FL/FR hexanal dimethyl acetal FL/FR methyl cyclocitrone (IFF) FR 2- propenyl-para-cymene FR seaweed absolute (fucus vesiculosus et serratus) FL/FR herbal acorn acetate FR clary sage oil france FL/FR dimethyl benzyl carbinyl formate FL/FR herbal carene FR linalyl octanoate FL/FR beta- pinene FL/FR laevo-beta- pinene FL/FR savin wood oil (juniperus phoenicea) FL/FR tea leaf absolute FL/FR minty ethyl benzoate FL/FR musk dehydro beta-linalool FL/FR musk dodecane FR musk methyl ketone FR musty tetrahydrogeranyl acetone FL/FR orris eugenyl formate FL/FR spicy caryophyllene FL/FR beta- caryophyllene FL/FR clove bud concrete FR cuminyl nitrile FR pepper tree berry oil FL/FR woody beta- caryophyllene alcohol acetate FL/FR dihydro-beta-ionone FL/FR para- menth-3-en-1-ol FL/FR 2- methoxy-4-vinyl phenol FL/FR For Flavor No flavor group found for these 1- benzoyl acetone FL/FR delta- cadinene FL beta- caryophyllene alcohol acetate FL/FR citronellyl benzoate FL/FR dehydro beta-linalool FL/FR dimethyl benzyl carbinyl formate FL/FR elecampane root oil FL eugenyl formate FL/FR hexanal dimethyl acetal FL/FR para- menth-3-en-1-ol FL/FR methyl (E)-cinnamate FL/FR (E)-2- methyl-2-pentenoic acid FL/FR 3- phenyl propyl isovalerate FL/FR phenyl propyl valerate FL/FR laevo-beta- pinene FL/FR savin wood oil (juniperus phoenicea) FL/FR seaweed absolute (fucus vesiculosus et serratus) FL/FR (S)- styralyl acetate FL/FR balsamic balsamic iso propyl cinnamate FL/FR berry maltyl butyrate FL/FR bitter 3,4- dihydroxybenzaldehyde FL caramellic ethyl maltol FL/FR strawberry furanone FL/FR citrus grapefruit oil c.p. california FL/FR grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo) FL/FR grapefruit oil terpeneless FL/FR 2- methyl decanal (aldehyde C-11 MOA) FL/FR bitter orange peel oil FL/FR bitter orange peel oil italy FL/FR tetrahydrogeranyl acetone FL/FR valencene FL/FR creamy acetyl butyryl FL/FR floral heliotropyl acetate FL/FR bitter orangeflower water absolute FL/FR fruity acetyl methyl anthranilate FL/FR berry pentadienoate FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR fruity ketal FL/FR linalyl octanoate FL/FR methyl propionate FL/FR nerolin fragarol FL/FR neryl isobutyrate FL/FR bitter orange peel oil brazil FL/FR phenethyl butyrate FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR strawberry glycidate 2 FL/FR green iso amyl formate FL/FR galbanum resinoid FL/FR geranic acid FL/FR hexyl isovalerate FL/FR iso jasmone FL/FR herbal clary sage oil france FL/FR green hexanal FL/FR jammy maltyl isobutyrate FL/FR medicinal ethyl benzoate FL/FR pine beta- pinene FL/FR smoky 2- methoxy-4-vinyl phenol FL/FR sour 2- methyl-2-pentenoic acid FL/FR spicy caryophyllene FL/FR beta- caryophyllene FL/FR methyl cinnamate FL/FR pepper tree berry oil FL/FR tea tea leaf absolute FL/FR waxy propyl heptanoate FL/FR woody dihydro-beta-ionone FL/FR (E)-beta- ionone FL/FR   Potential Uses: FL cheese FL dairy FR fruit FL fruit tropical fruit FR galbanum FR strawberry   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   Articles:   None found yet. Try the PubMed Search.

Notes: Used as a food additive [EAFUS]