3,5-dimethyl-1,2,4-trithiolane
1,2,4-trithiolane, 3,5-dimethyl-

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  Product(s):
  23654-92-4 3,5-Dimethyl-1,2,4-trithiolane

Name: 3,5-dimethyl-1,2,4-trithiolane CAS Number: 23654-92-4 3D/inchi ECHA EINECS - REACH Pre-Reg: 245-808-6 FDA UNII: FQN903SX70 Nikkaji Web: J127.228D CoE Number: 11883 XlogP3-AA: 2.40 (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: 573 3,5-dimethyl-1,2,4-trithiolane DG SANTE Food Flavourings: 15.025 3,5-dimethyl-1,2,4-trithiolane FEMA Number: 3541 3,5-dimethyl-1,2,4-trithiolane FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 23654-92-4 ; 3,5-DIMETHYL-1,2,4-TRITHIOLANE   Physical Properties: Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.24100 to 1.26100 @ 25.00 °C. Pounds per Gallon - (est).: 10.326 to 10.493 Refractive Index: 1.59300 to 1.60300 @ 20.00 °C. Boiling Point: 43.00 to 45.00 °C. @ 0.70 mm Hg Boiling Point: 227.00 to 228.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.111000 mmHg @ 25.00 °C. (est) Flash Point: 207.00 °F. TCC ( 97.22 °C. ) logP (o/w): 3.760 (est) Soluble in:   alcohol   fats   water, 996.3 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: sulfurous meaty beefy sulfurous Odor Description:at 0.01 % in propylene glycol. meaty beefy sulfurous Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 3,5-Dimethyl-1,2,4-trithiolane Parchem 3,5-dimethyl-1,2,4-trithiolane Shijiazhuang Donglian Nankai Aroma Chemicals 3,5-Dimethyl-1,2,4-trithiolane Odor: Cooked beef and durian   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 115 mg/kg (BIBRA, 1976) Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents Recommendation for 3,5-dimethyl-1,2,4-trithiolane usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day) Adequate NOAEL exists: Yes NOEL (No Observed Effect Level): 1.9 (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: 11 Click here to view publication 11   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): - - beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: - 0.30000 hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - 0.30000 milk products: - 0.30000 nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - 0.30000 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 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 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):23654-92-4 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :32033 National Institute of Allergy and Infectious Diseases:Data 3,5-dimethyl-1,2,4-trithiolane Chemidplus:0023654924   References:   3,5-dimethyl-1,2,4-trithiolane NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 23654-92-4 Pubchem (cid): 32033 Pubchem (sid): 135163153   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): HMDB31470 FooDB: FDB008043 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View FAO: 3,5-Dimethyl-1,2,4-trithiolane   Potential Blenders and core components note For Odor chocolate 2,6- dimethyl pyrazine FL/FR 2,5- dimethyl pyrazine FL/FR coffee coffee difuran FL/FR floral 6,8- dimethyl-2-nonanol FR meaty meaty dithiane FL/FR 4- methyl nonanoic acid FL/FR sulfurol FL/FR sulfuryl acetate FL/FR nutty 2,4,5- trimethyl oxazole FL/FR sulfurous fish thiol FL/FR For Flavor No flavor group found for these benzyl methyl sulfide FL 2,4- dimethyl-3-oxazoline FL 1-(2- thienyl) butanone FL burnt burnt 2,4,5- trimethyl oxazole FL/FR chemical 2,5- dimethyl furan FL coffee coffee difuran FL/FR 2,4- dimethyl thiazole FL corn chip 2- acetyl-2-thiazoline FL eggy iso propyl mercaptan FL fatty 4- methyl nonanoic acid FL/FR 2,4- octadien-1-ol FL meaty 2,6- dimethyl pyrazine FL/FR meaty dithiane FL/FR 3- mercapto-2-butanone FL 2- methyl 3-(methyl thio) furan FL 2- methyl-3-tetrahydrofuran thiol FL 2- pyridinyl methane thiol FL sulfurol FL/FR sulfuryl acetate FL/FR musty 2,5- dimethyl pyrazine FL/FR sulfurous fish thiol FL/FR methyl 2-methyl-3-furyl disulfide FL 3- methyl-2-butane thiol FL   Potential Uses: FL meat   Occurrence (nature, food, other):note   beef Search PMC Picture   chicken Search PMC Picture   mutton Search PMC Picture   pork Search PMC Picture   Synonyms: 3,5- dimethyl-1,2,4-trithiacyclopentane 2,5- dimethyl-1,3,4-trithiolane 1,2,4- trithiolane, 3,5-dimethyl-   Articles:   None found yet. 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Notes: Occurs in roast or boiled pork, beef, mutton and chicken. Also in roasted filberts and cooked potato, beans, shrimp and clam. Flavouring ingredient.