diisoamyl thiomalate
diisopentyl thiomalate

Supplier Sponsors

• 
  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!
  CODE102783 CODE102783
  Product(s):
  68084-03-7 Diisoamyl Thiomalate

• 
  Chemical sources Association Inc

  Exchange of knowledge

  Need This Item for Flavor? You can contact the Chemical Sources Association.

  Events

  Links

  CODE102783 CODE102783

  Product(s):

• 
  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
  CODE102783 CODE102783
  Product(s):
  04-24900 DIISOAMYL THIOMALATE

Name: bis(3-methylbutyl) 2-sulfanylbutanedioate CAS Number: 68084-03-7 3D/inchi ECHA EINECS - REACH Pre-Reg: 268-416-7 FDA UNII: R38N4Y43EC Nikkaji Web: J289.023B CoE Number: 11454 XlogP3-AA: 3.70 (est) Molecular Weight: 290.42302000 Formula: C14 H26 O4 S NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: Specifications (EFFA, 2004ak). Racemate (EFFA, 2010a). 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: 1672 diisopentyl thiomalate DG SANTE Food Flavourings: 12.108 diisopentyl thiomalate FEMA Number: 4096 diisopentyl thiomalate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 68084-03-7 ; DIISOPENTYL THIOMALATE   Physical Properties: Appearance: pale yellow clear liquid to solid (est) Assay: 95.00 to 100.00 Additional Assay Information: racemate Food Chemicals Codex Listed: No Specific Gravity: 1.01100 to 1.02100 @ 20.00 °C. Pounds per Gallon - (est).: 8.422 to 8.506 Refractive Index: 1.45600 to 1.46000 @ 20.00 °C. Melting Point: 50.00 °C. @ 760.00 mm Hg Boiling Point: 140.00 to 155.00 °C. @ 1.00 mm Hg Boiling Point: 425.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.000010 mmHg @ 25.00 °C. (est) Flash Point: > 200.00 °F. TCC ( > 93.33 °C. ) logP (o/w): 4.578 (est) Soluble in:   alcohol   water, 4.789 mg/L @ 25 °C (est) Insoluble in:   water Stability:   stable in most media   Organoleptic Properties: Odor Type: coffee Odor Strength:high , recommend smelling in a 0.10 % solution or less Substantivity:96 hour(s) at 100.00 % fermented coffee yeasty bread rye bread Odor Description:at 0.10 % in dipropylene glycol. fermented coffee yeast dark rye bread Luebke, William tgsc, (1987) Odor sample from: PFW Aroma Chemicals Flavor Type: coffee coffee bready yeasty fermented Taste Description: coffee bready yeasty fermented Luebke, William tgsc, (1987) Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Diisoamyl Thiomalate Parchem diisoamyl thiomalate Penta International DIISOAMYL THIOMALATE Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   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 diisoamyl thiomalate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 160 (μg/person/day) Threshold of Concern: 90 (μg/person/day) Structure Class: III 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: 0.40000 2.00000 beverages(nonalcoholic): 0.20000 1.00000 beverages(alcoholic): 0.20000 1.00000 breakfast cereal: 0.20000 1.00000 cheese: 0.40000 2.00000 chewing gum: - - condiments / relishes: 0.20000 1.00000 confectionery froastings: 0.40000 2.00000 egg products: - - fats / oils: 0.20000 1.00000 fish products: 0.10000 0.40000 frozen dairy: 0.40000 2.00000 fruit ices: 0.40000 2.00000 gelatins / puddings: - - granulated sugar: - - gravies: 1.00000 5.00000 hard candy: - - imitation dairy: 0.40000 2.00000 instant coffee / tea: - - jams / jellies: - - meat products: 1.00000 2.00000 milk products: 0.40000 2.00000 nut products: - - other grains: 0.20000 1.00000 poultry: 1.00000 2.00000 processed fruits: 0.20000 2.00000 processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: 1.00000 2.00000 snack foods: 1.00000 2.00000 soft candy: - - soups: 0.60000 2.00000 sugar substitutes: - - sweet sauces: 0.20000 1.00000   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 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 Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): 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.08Rev3 (2011) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the 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.08Rev5 (2012) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):68084-03-7 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :106530 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 bis(3-methylbutyl) 2-sulfanylbutanedioate Chemidplus:0068084037   References:   bis(3-methylbutyl) 2-sulfanylbutanedioate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 106530 Pubchem (sid): 135063772   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): HMDB32223 FooDB: FDB009296 ChemSpider: View   Potential Blenders and core components note For Odor alliaceous methyl furfuryl disulfide FL/FR balsamic 2- acetyl furan FL/FR cinnamyl alcohol FL/FR bready coffee furanone FL/FR furfural FL/FR caramellic coffee dione FL/FR cyclotene FL/FR fenugreek absolute FL/FR fenugreek oleoresin FL/FR maltol FL/FR iso propenyl pyrazine FL/FR shoyu furanone FL/FR toffee furanone FL/FR chocolate cocoa hexenal FL/FR 2,6- dimethyl pyrazine FL/FR 2,4,5- trimethyl thiazole FL/FR cocoa 2- methyl butyraldehyde FL/FR coffee cichorium intybus root extract FL/FR cichorium intybus root solid extract FL/FR roasted coffea arabica seed extract FL/FR coffea arabica seed extract FL/FR coffea arabica seed oil FL/FR coffee absolute FL/FR arabica coffee bean butter FL/FR roasted arabica coffee bean essence FL/FR roasted coffee bean extract FL/FR roasted arabica coffee bean oil FL/FR roasted arabica coffee bean oil CO2 extract FL/FR coffee bean oil extract FL/FR coffee difuran FL/FR coffee resinoid FL/FR furfuryl mercaptan FL/FR 1- hydroxy-2-butanone FL/FR 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR earthy nutty pyrazine FL/FR fermented propyl nonanoate FL/FR floral phenethyl butyrate FL/FR fruity tropical thiazole FL/FR herbal thymyl methyl ether FL/FR wormwood oil america FL/FR medicinal 2,6- xylenol FL/FR minty dextro- carvone FL/FR musty 2- acetyl pyrrole FL/FR menthofuran FL/FR nutty 3,5- cocoa pyrazine FL/FR 2,3- dimethyl pyrazine FL/FR 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR 2- ethyl pyrazine FL/FR 2- ethyl-4-methyl thiazole FL/FR filbert heptenone FL/FR filbert pyrazine FL/FR 2,6- lutidine FL/FR 5- methyl quinoxaline FL/FR 2- methyl thio-3,5 or 6-methyl pyrazine FL/FR 2,3,5,6- tetramethyl pyrazine FL/FR popcorn 2- acetyl pyrazine FL/FR spicy caraway seed oleoresin FL/FR sulfurous benzothiazole FL/FR furfuryl thioacetate FL/FR S- furfuryl thioformate FL/FR 2- methyl 5-(methyl thio) furan FL/FR O- methyl S-1-methoxyhexan-3-yl carbonothioate FL/FR vegetable 1- furfuryl pyrrole FL/FR tetrahydrofurfuryl alcohol FL/FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these 2,5- dimethyl-3-thiofuroyl furan FL 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR propyl nonanoate FL/FR absinthe absinthe absinthe flavor FL alliaceous benzyl mercaptan FL dicyclohexyl disulfide FL tropical thiazole FL/FR bready 2- propionyl thiazole FL brown fenugreek oleoresin FL/FR furfural FL/FR 1- hydroxy-2-butanone FL/FR burnt furfuryl alcohol FL 1-(2- furfuryl thio) propanone FL 2- methyl quinoxaline FL iso propenyl pyrazine FL/FR 2,6- xylenol FL/FR caramellic caramel furanone FL cyclotene FL/FR fenugreek absolute FL/FR maltol FL/FR shoyu furanone FL/FR toffee furanone FL/FR chocolate mocha cream flavor FL cocoa butyraldehyde FL cocoa hexenal FL/FR coffee cappuccino flavor FL chicory flavor FL chicory root distillates FL chicory root essence FL roasted chicory root oil FL chicory tincture FL cichorium intybus root extract FL/FR cichorium intybus root solid extract FL/FR roasted coffea arabica seed extract FL/FR coffea arabica seed extract FL/FR coffea arabica seed oil FL/FR coffea canephora seed extract FL coffee absolute FL/FR arabica coffee bean butter FL/FR roasted coffee bean concentrate FL roasted coffee bean essence FL roasted robusta coffee bean essence FL roasted arabica coffee bean essence FL/FR roasted coffee bean extract FL/FR roasted robusta coffee bean extract FL dried roasted coffee bean extract FL roasted arabica coffee bean oil CO2 extract FL/FR coffee bean oil extract FL/FR coffee creme brulee flavor FL coffee difuran FL/FR coffee dione FL/FR coffee distillates FL espresso coffee distillates FL coffee enhancers FL espresso coffee essence FL espresso coffee extract FL irish coffee flavor FL espresso coffee flavor FL dark roast coffee flavor FL coffee flavor FL coffee liqueur flavor FL coffee pyrazine FL coffee resinoid FL/FR coffee royale flavor FL difurfuryl ether FL 2,4- dimethyl thiazole FL 2- ethyl-4-methyl thiazole FL/FR furfuryl mercaptan FL/FR methyl furfuryl disulfide FL/FR methyl furfuryl mercaptopropionate FL 2- methyl-5-vinyl pyrazine FL 2-iso propyl pyrazine FL 2- thiophene thiol FL corn chip 2- acetyl-2-thiazoline FL dairy creme brulle coffee flavor FL earthy difurfuryl sulfide FL fruity furfuryl propionate FL phenethyl butyrate FL/FR fusel 2- methyl butyraldehyde FL/FR green cinnamyl alcohol FL/FR 3,4- dimethoxystyrene FL 2- methyl-5-isopropyl pyrazine FL herbal wormwood oil america FL/FR meaty benzothiazole FL/FR 2,6- dimethyl pyrazine FL/FR 3- mercapto-2-butanone FL 2- methyl 3-(methyl thio) furan FL metallic 2,5- dihydroxy-1,4-dithiane FL minty dextro- carvone FL/FR mustard furfuryl methyl ether FL musty 2- ethoxythiazole FL menthofuran FL/FR 2- methyl 5-(methyl thio) furan FL/FR thymyl methyl ether FL/FR nutty 2- acetyl furan FL/FR 2- acetyl pyrrole FL/FR 3,5(6)- cocoa pyrazine FL 3,5- cocoa pyrazine FL/FR coffee furanone FL/FR 2,3- dimethyl pyrazine FL/FR 4,5- dimethyl-2-ethyl-3-thiazoline FL/FR 2- ethyl pyrazine FL/FR filbert heptenone FL/FR filbert pyrazine FL/FR 2,6- lutidine FL/FR 5- methyl quinoxaline FL/FR 2- methyl thio-3,5 or 6-methyl pyrazine FL/FR nutty pyrazine FL/FR nutty thiazole FL tetrahydrofurfuryl alcohol FL/FR 2,3,5,6- tetramethyl pyrazine FL/FR 2,4,5- trimethyl thiazole FL/FR onion furfuryl isopropyl sulfide FL roasted 2- acetyl pyrazine FL/FR roasted arabica coffee bean oil FL/FR ethyl 3-(furfuryl thio) propionate FL furfuryl thioacetate FL/FR O- methyl S-1-methoxyhexan-3-yl carbonothioate FL/FR spicy caraway seed oleoresin FL/FR cinnamon hazelnut cappuccino flavor FL sulfurous butyl mercaptan FL ethyl methyl sulfide FL S- ethyl thioacetate FL S- furfuryl thioformate FL/FR furfuryl thiopropionate FL 3- methyl-2-butane thiol FL 2- thienyl mercaptan FL vegetable 1- furfuryl pyrrole FL/FR 2- octen-4-one FL/FR waxy furfuryl octanoate FL   Potential Uses: FL bread rye bread FL coffee FL yeast   Occurrence (nature, food, other):note   not found in nature   Synonyms:   butanedioic acid, 2-mercapto-, bis(3-methylbutyl) ester   butanedioic acid, mercapto-, bis(3-methylbutyl) ester   coffee thiomalate   diisopentyl thiomalate   mercaptobutane dioic acid bis(3-methyl butyl) ester   mercaptobutanedioic acid bis(3-methylbutyl) ester bis(3- methyl butyl) mercaptosuccinate bis(3- methylbutyl) 2-sulfanylbutanedioate bis(3- methylbutyl) 2-sulfanylsuccinate bis(3- methylbutyl) mercaptosuccinate   Articles:   None found yet. Try the PubMed Search.

Notes: Used as a food additive [EAFUS]