3-methyl-1,2,4-trithiane
1,2,4-trithiane, 3-methyl-

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  CODE103763 CODE103763
  Product(s):
  43040-01-3 3-Methyl-1,2,4-trithiane

Name: 3-methyl-1,2,4-trithiane CAS Number: 43040-01-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 256-056-3 FDA UNII: G1961C379S Nikkaji Web: J422.480I XlogP3-AA: 1.90 (est) Molecular Weight: 152.30276000 Formula: C4 H8 S3 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: 574 3-methyl-1,2,4-trithiane DG SANTE Food Flavourings: 15.036 3-methyl-1,2,4-trithiane FEMA Number: 3718 3-methyl-1,2,4-trithiane FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 43040-01-3 ; 3-METHYL-1,2,4-TRITHIANE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.27600 @ 20.00 °C. Refractive Index: 1.61700 to 1.62700 @ 20.00 °C. Boiling Point: 226.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.053000 mmHg @ 25.00 °C. (est) Flash Point: 226.00 °F. TCC ( 107.78 °C. ) logP (o/w): 3.386 (est) Soluble in:   fats   water, 862.2 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Taste Description: meaty Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 3-Methyl-1,2,4-trithiane DeLong Chemicals America 3-methyl-1,2,4-trithiane Parchem 3-methyl-1,2,4-trithiane   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: oral-rat LD50 [sex: M,F] 440 mg/kg (Mondino & Peano, 1979b) Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents Recommendation for 3-methyl-1,2,4-trithiane usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.073 (μg/capita/day) NOEL (No Observed Effect Level): 0.30 (mg/kg bw per day) Structure Class: II 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: 13 Click here to view publication 13   average usual ppm average maximum ppm baked goods: - 1.50000 beverages(nonalcoholic): - 0.15000 beverages(alcoholic): - 0.50000 breakfast cereal: - 0.50000 cheese: - - chewing gum: - 5.00000 condiments / relishes: - - confectionery froastings: - 0.50000 egg products: - 0.05000 fats / oils: - - fish products: - - frozen dairy: - 0.50000 fruit ices: - - gelatins / puddings: - 0.30000 granulated sugar: - - gravies: - 0.50000 hard candy: - 1.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - 1.00000 milk products: - - nut products: - 0.50000 other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - 1.50000 soft candy: - 0.50000 soups: - 0.50000 sugar substitutes: - - sweet sauces: - -   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 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 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 the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):43040-01-3 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :65290 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 3-methyl-1,2,4-trithiane Chemidplus:0043040013   References:   3-methyl-1,2,4-trithiane NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 43040-01-3 Pubchem (cid): 65290 Pubchem (sid): 135021697   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): HMDB37290 FooDB: FDB016309 YMDB (Yeast Metabolome Database): YMDB01497 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View Wikipedia: View FAO: 3-Methyl-1,2,4-trithiane   Potential Blenders and core components note For Odor alliaceous dimethyl trisulfide FL/FR caramellic strawberry furanone FL/FR chocolate 2,6- dimethyl pyrazine FL/FR coffee furfuryl mercaptan FL/FR fresh 10- undecen-1-yl acetate FL/FR fruity 3- mercaptohexyl acetate FL/FR (E)-7- methyl-3-octen-2-one FL/FR prunus amygdalus amara seed extract FL/FR (E)-2- undecenal FL/FR green (E,Z)-2,6- nonadienal FL/FR meaty meaty dithiane FL/FR sulfurol FL/FR sulfuryl acetate FL/FR moldy strawberry furanone methyl ether FL/FR nutty 2- ethyl-4-methyl thiazole FL/FR filbert heptenone FL/FR 2,6- lutidine FL/FR roasted trigonella foenum-graecum seed oil CO2 extract FL/FR smoky 2,6- dimethoxyphenol FL/FR pyroligneous acids FL/FR sulfurous benzothiazole FL/FR fish thiol FL/FR furfuryl thioacetate FL/FR 2- mercaptopropionic acid FL/FR methyl mercaptan FL/FR 2-( methyl thio) phenol FL/FR For Flavor alliaceous allyl disulfide FL allyl mercaptan FL 1,3- butane dithiol FL cyclopentyl mercaptan FL dicyclohexyl disulfide FL dimethyl trisulfide FL/FR garlic oil extenders FL 3- mercapto-2-pentanone FL bacon bacon reaction crispy FL burnt 1,6- hexane dithiol FL caramellic strawberry furanone FL/FR chemical 2,5- dimethyl furan FL coffee 2- ethyl-4-methyl thiazole FL/FR furfuryl mercaptan FL/FR methyl furfuryl mercaptopropionate FL methyl furfuryl thiol FL earthy (±)-2- mercapto-5-methylheptan-4-one FL 1,8- octane dithiol FL 2- thienyl disulfide FL fatty pork fat extract FL (E)-7- methyl-3-octen-2-one FL/FR fruity 2- ethyl-2,5-dihydro-4-methyl thiazole FL greasy 10- undecen-1-yl acetate FL/FR green 4- methyl thiazole FL (E,Z)-2,6- nonadienal FL/FR meaty 4- allyl-2,6-dimethoxyphenol FL bacon flavor FL beef broth flavor FL BBQ beef flavor FL beef flavor FL roast beef flavor FL beef flavor base FL benzothiazole FL/FR chicken bone extract FL chicken extract FL chicken flavor FL grilled chicken flavor FL chicken key FL 2,6- dimethyl pyrazine FL/FR 2,6- dimethyl thiophenol FL 2,5- dimethyl-3-furan thiol FL 2',3- dimethyl-3',4-dioxa-2,8-dithiabicyclo(3.3.0)octane spirocyclopentane FL ethyl 2-hydroxyethyl sulfide FL furfuryl 2-methyl-3-furyl disulfide FL 4- furfuryl thio-2-pentanone FL ham enhancers FL ham flavor FL hot dog flavor FL lamb flavor FL liver flavor FL meat broth concentrates FL meat flavors FL meaty dithiane FL/FR meaty enhancers FL 3- mercapto-2-butanone FL (R,S)-2- mercapto-3-butanol FL 3- mercapto-3-methyl butanol FL 2- mercaptomethyl pyrazine FL 2- mercaptopropionic acid FL/FR 2- methyl 3-(methyl thio) furan FL 2-( methyl thio) phenol FL/FR methyl thiofuryl butanal FL bis(2- methyl-3-furyl) disulfide FL S-(2- methyl-3-furyl) ethane thioate FL 2- methyl-3-tetrahydrofuran thiol FL 2- methyl-3-thioacetoxytetrahydrofuran FL phenyl mercaptan FL grilled pork flavor FL roasted pork flavor FL pork flavor FL pyrazinyl ethane thiol FL 2- pyridinyl methane thiol FL rabbit flavor FL grilled steak flavor FL sulfurol FL/FR sulfuryl acetate FL/FR thialdine FL ortho- thiocresol FL ortho- thioguaiacol FL turkey flavor FL roast turkey flavor FL smoked turkey flavor FL veal flavor FL venison flavor FL medicinal 2,6- dimethoxyphenol FL/FR moldy strawberry furanone methyl ether FL/FR nutty 2- acetyl-4-methyl thiazole FL filbert heptenone FL/FR 2,6- lutidine FL/FR nutty thiazole FL prunus amygdalus amara seed extract FL/FR phenolic 2- ethyl benzene thiol FL roasted 3,5- diisobutyl-1,2,4-trithiolane FL furfuryl thioacetate FL/FR trigonella foenum-graecum seed oil CO2 extract FL/FR savory 2,4,6- triethyl tetrahydro-1,3,5-dithiazine FL smoky pyroligneous acids FL/FR spicy hot spicy beef flavor FL sulfurous butyl mercaptan FL fish thiol FL/FR furfuryl thiopropionate FL methyl 2-methyl-3-furyl disulfide FL methyl mercaptan FL/FR 3- methyl-2-butane thiol FL 2- naphthyl mercaptan FL 3- pentane thiol FL roasted butanol FL tropical 3- mercaptohexyl acetate FL/FR waxy (E)-2- undecenal FL/FR yeasty faex extracts FL   Potential Uses: None Found   Occurrence (nature, food, other):note   beef boiled beef Search PMC Picture   beef cooked beef Search PMC Picture   durian fruit Search Trop Picture   sesame seed oil roasted Search Trop Picture   Synonyms: 3- methyl-1,2,4-trithiacyclohexane 1,2,4- trithiane, 3-methyl-   Articles:   None found yet. 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Notes: Cysteine derived Maillard product. Flavouring ingredient. Present in aroma of cooked beef, roasted sesame seed oil, yeast extracts and durian fruit (Durio zibethinus)