methyl isopentyl disulfide
isopentyl methyl disulfide

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  Methyl isopentyl disulfide

Name: 3-methyl-1-methyldisulfanylbutane CAS Number: 72437-56-0 3D/inchi FDA UNII: 0XDI7Q3QL3 Nikkaji Web: J543.236G XlogP3-AA: 2.60 (est) Molecular Weight: 150.30758000 Formula: C6 H14 S2 NMR Predictor: Predict (works with chrome, Edge or firefox) Also(can) Contains: 2-butenoic acid 3.00% to 5.00% 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: 1696 methyl isopentyl disulfide DG SANTE Food Flavourings: 12.294 isopentyl methyl disulfide FEMA Number: 4168 methyl isopentyl disulfide FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 72437-56-0 ; METHYL ISOPENTYL DISULFIDE   Physical Properties: Appearance: colorless to yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.99500 to 1.00100 @ 25.00 °C. Pounds per Gallon - (est).: 8.279 to 8.329 Refractive Index: 1.51600 to 1.52200 @ 20.00 °C. Boiling Point: 184.00 to 200.00 °C. @ 760.00 mm Hg Vapor Pressure: 1.002000 mmHg @ 25.00 °C. (est) Flash Point: 134.00 °F. TCC ( 56.67 °C. ) logP (o/w): 4.032 (est) Soluble in:   alcohol   water, very slightly   water, 46.15 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl methyl disulfide amyl methyl disulfide benzyl methyl disulfide diphenyl methyl disulfide ethyl methyl disulfide methyl phenyl methyl disulfide 2-methyl-3-furyl methyl disulfide 2-methyl-3-furyl methyl thiomethyl disulfide phenyl methyl disulfide 1-propenyl methyl disulfide propyl methyl disulfide   Organoleptic Properties: Flavor Type: roasted sulfurous roasted Taste Description: sulfurous roasted Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Parchem methyl isopentyl disulfide WholeChem Methyl isopentyl disulfide 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 methyl isopentyl disulfide 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): 300 (μg/person/day) NOEL (No Observed Effect Level): 7.3 (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: 0.25000 0.50000 beverages(nonalcoholic): 0.50000 1.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 0.25000 0.50000 fruit ices: - - gelatins / puddings: 0.25000 0.50000 granulated sugar: - - gravies: - - hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: 1.00000 1.50000 milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - - sugar substitutes: - - 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): - - Fats and oils, and fat emulsions (type water-in-oil) (02.0): - - Edible ices, including sherbet and sorbet (03.0): 0.25000 0.50000 Processed fruit (04.1): - - Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): - - Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): - - Bakery wares (07.0): 0.25000 0.50000 Meat and meat products, including poultry and game (08.0): 1.00000 1.50000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): - - Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): - - Foodstuffs intended for particular nutritional uses (13.0): - - Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.50000 1.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): - - Ready-to-eat savouries (15.0): - - Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.25000 0.50000   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 ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :534377 National Institute of Allergy and Infectious Diseases:Data 3-methyl-1-methyldisulfanylbutane Chemidplus:0072437560   References:   3-methyl-1-methyldisulfanylbutane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 534377 Pubchem (sid): 135328110   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): HMDB32408 FooDB: FDB009843 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these sulfuryl octanoate FL/FR sulfuryl butyrate FL/FR sulfuryl decanoate FL/FR sulfuryl hexanoate FL/FR sulfuryl isobutyrate FL/FR sulfuryl propionate FL/FR caramellic caramellic fenugreek oleoresin FL/FR chocolate chocolate pyrazine A FL/FR 2,6- dimethyl pyrazine FL/FR 2,5- dimethyl pyrazine FL/FR 2- methoxy-3-methyl pyrazine FL/FR coffee coffee difuran FL/FR furfuryl mercaptan FL/FR 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR corn chip popcorn pyrimidine FL/FR earthy nutty pyrazine FL/FR ethereal 2- methyl-1-butanol FL/FR floral magnolia indene FR green 2- heptyl furan FL/FR musty 3- acetyl-2,5-dimethyl furan FL/FR hazelnut pyrazine FL/FR nutty 2- acetyl-3-methyl pyrazine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR 2- acetyl-3,5(or 6)-dimethyl pyrazine FL/FR 3,5- cocoa pyrazine FL/FR 3,6- cocoa pyrazine FL/FR filbert heptenone FL/FR 2- methyl pyrazine FL/FR 5- methyl quinoxaline FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR 2- methyl-3-ethoxypyrazine FL/FR nutty quinoxaline FL/FR 2,3,5- trimethyl pyrazine FL/FR popcorn 2- acetyl thiazole FL/FR roasted fenugreek resinoid FL/FR sulfurous ethyl 3-mercaptobutyrate FL/FR fish thiol FL/FR furfuryl thioacetate FL/FR 2- mercaptopropionic acid FL/FR woody 2- methoxy-4-vinyl phenol FL/FR For Flavor No flavor group found for these benzyl methyl sulfide FL 1,2- butane dithiol FL 2- butenoic acid FL 2-iso butyl-4,5-dimethyl oxazole FL 2(4)-iso butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine FL chocolate pyrazine A FL/FR 3,6- diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri FL 6,7- dihydro-2,3-dimethyl-5H-cyclopentapyrazine FL dimethyl dihydrocyclopentapyrazine FL 2,5- dimethyl thiazole FL (Z+E)-2,5- dimethyl-3-tetrahydrofuran thiol FL (Z+E)-2,5- dimethyl-3-thioacetoxytetrahydrofuran FL 2,5- dimethyl-3-thiofuroyl furan FL ethyl 3-mercaptobutyrate FL/FR 3-( ethyl thio) butanol FL (Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline FL (Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline FL 3- mercapto-3-methyl butyl formate FL methyl 2-(methyl thio) acetate FL 2-( methyl thio) methyl-2-butenal FL 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR 2- methyl-3-ethoxypyrazine FL/FR 3-((2- methyl-3-furyl)thio)-4-heptanone FL 1- phenyl-3(5)-propyl pyrazole FL 3-iso propenyl pentane dioic acid FL 2- propionyl pyrrole FL propionyl pyrroline 1% in vegatable oil triglyceride FL propyl propane thiosulfonate FL sulfuryl butyrate FL/FR sulfuryl decanoate FL/FR sulfuryl hexanoate FL/FR sulfuryl isobutyrate FL/FR 5- acetyl-2,3-dihydro-1,4-thiazine FL S- allyl-laevo-cysteine FL 3,7- dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide FL (±)-3-( methyl thio) heptanal FL 3-( methyl thio) methyl thiophene FL 2- methyl-1-methyl thio-2-butene FL 4- pentenal FL pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine FL sulfuryl formate FL sulfuryl octanoate FL/FR sulfuryl propionate FL/FR alliaceous alliaceous allyl mercaptan FL 3- mercapto-2-pentanone FL bitter methyl ethoxypyrazine FL brown fenugreek oleoresin FL/FR caramellic fenugreek resinoid FL/FR coffee coffee difuran FL/FR 2,4- dimethyl thiazole FL furfuryl mercaptan FL/FR 2- thiophene thiol FL corn chip 2- acetyl thiazole FL/FR popcorn pyrimidine FL/FR creamy 2,5- dimethyl-3-thioisovaleryl furan FL ethereal 2- methyl-1-butanol FL/FR fatty 4,5- dimethyl-2-propyl oxazole FL 2- heptyl furan FL/FR fishy 4,5- dimethyl thiazole FL green 2,5- dimethyl-4-ethyl oxazole FL meaty 4- allyl-2,6-dimethoxyphenol FL 2,6- dimethyl pyrazine FL/FR 2,6- dimethyl thiophenol FL 1,1- ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4% FL (R,S)-2- mercapto-3-butanol FL 3- mercapto-3-methyl butanol FL 2- mercaptomethyl pyrazine FL 2- mercaptopropionic acid FL/FR bis(2- methyl-3-furyl) disulfide FL S-(2- methyl-3-furyl) ethane thioate FL 2- methyl-3-tetrahydrofuran thiol FL propyl 2-mercaptopropionate FL 2- pyridinyl methane thiol FL thialdine FL mustard furfuryl methyl ether FL musty 2,5- dimethyl pyrazine FL/FR 2- ethoxythiazole FL hazelnut pyrazine FL/FR 2,3,5- trimethyl pyrazine FL/FR nutty 3- acetyl-2,5-dimethyl furan FL/FR 3- acetyl-2,5-dimethyl thiophene FL 2- acetyl-3-methyl pyrazine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR 2- acetyl-3,5(or 6)-dimethyl pyrazine FL/FR 2- butyl-2-butenal FL 3,6- cocoa pyrazine FL/FR 3,5- cocoa pyrazine FL/FR 2- ethyl-6-methyl pyrazine FL filbert heptenone FL/FR 2- methoxy-3-methyl pyrazine FL/FR 2- methyl pyrazine FL/FR 5- methyl quinoxaline FL/FR nutty pyrazine FL/FR nutty quinoxaline FL/FR nutty thiazole FL phenolic 2- ethyl benzene thiol FL popcorn 2- propionyl-2-thiazoline FL roasted 3,5- diisobutyl-1,2,4-trithiolane FL furfuryl thioacetate FL/FR gluconyl ethanolamine FL gluconyl ethanolamine phosphate FL hexyl mercaptan FL lactoyl ethanolamine FL lactoyl ethanolamine phosphate FL smoky 2- methoxy-4-vinyl phenol FL/FR sulfurous fish thiol FL/FR methyl 2-methyl-3-furyl disulfide FL roasted butanol FL 2- thienyl mercaptan FL 2,4,6- trithiaheptane 10% in triacetin FL winey 5- ethyl-2-methyl pyridine FL   Potential Uses: FL beef roasted beef FL chicory root FL chocolate cacao FL meat roasted meat FL nut roasted nut FL roasted   Occurrence (nature, food, other):note   found in nature   Synonyms:   disulfide, isopentyl methyl   disulfide, methyl 3-methylbutyl   methyl 3-methyl butyl disulfide   methyl 3-methylbutyl disulfide   methyl isopentyl disulphide 3- methyl-1-(methyldisulfanyl)butane 3- methyl-1-methyldisulfanylbutane   methylisopentyldisulfide iso pentyl methyl disulfide   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Notes: Used as a food additive [EAFUS]