3,5-diisobutyl-1,2,4-trithiolane
3,5-bis(2-methyl propyl)-1,2,4-trithiolane

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  CODE158373 CODE158373
  Product(s):
  92900-67-9 3,5-Diisobutyl-1,2,4-trithiolane 95%

CAS Number: 92900-67-9 3D/inchi FDA UNII: Search MDL: MFCD10000648 Molecular Weight: 236.46440000 Formula: C10 H20 S3 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: CASrn in Register refers to the racemate. Mixture of isomers ((R/R), (R/S), (S/R) & (S/S) at equal ratio, i.e. 25 % of each) (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 DG SANTE Food Flavourings: 15.047 3,5-di-(2-methylpropyl)-1,2,4-trithiolane 15.047 3,5-diisobutyl-1,2,4-trithiolane 15.047 1,2,4-trithiolane, 3,5-bis(2-methylpropyl)-   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Melting Point: 156.00 °C. @ 760.00 mm Hg Boiling Point: 314.00 to 316.00 °C. @ 760.00 mm Hg (est) Boiling Point: 295.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est) Flash Point: 281.00 °F. TCC ( 138.33 °C. ) logP (o/w): 5.130 Soluble in:   alcohol   water, 1.534 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: roasted roasted nutty bacon pork Odor Description:at 0.01 % in propylene glycol. roasted, roasted nut, crisp bacon-like and pork rind-like Flavor Type: roasted roasted bacon meaty meaty roasted meaty Taste Description: roasted, roasted nut, crisp bacon-like and pork rind-like Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 3,5-Diisobutyl-1,2,4-trithiolane 95% Carbosynth For experimental / research use only. 3,5-Diisobutyl-1,2,4-trithiolane   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 3,5-diisobutyl-1,2,4-trithiolane usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 46 (μg/person/day) Threshold of Concern: 540 (μg/person/day) Structure Class: II   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): 0.20000 1.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.10000 0.50000 Edible ices, including sherbet and sorbet (03.0): 0.20000 1.00000 Processed fruit (04.1): 0.20000 1.00000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 0.20000 1.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.10000 0.50000 Bakery wares (07.0): 0.20000 1.00000 Meat and meat products, including poultry and game (08.0): 0.10000 0.20000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.10000 0.20000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.10000 0.50000 Foodstuffs intended for particular nutritional uses (13.0): 0.20000 1.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): - - Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.20000 1.00000 Ready-to-eat savouries (15.0): 0.40000 2.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.10000 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 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 :21773712 National Institute of Allergy and Infectious Diseases:Data 3,5-bis(2-methylpropyl)-1,2,4-trithiolane   References:   3,5-bis(2-methylpropyl)-1,2,4-trithiolane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 21773712 Pubchem (sid): 131330525   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 HMDB (The Human Metabolome Database): Search VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor alliaceous dimethyl trisulfide FL/FR methyl furfuryl disulfide FL/FR caramellic iso propenyl pyrazine FL/FR strawberry furanone FL/FR chocolate 2,5- dimethyl pyrazine FL/FR 2,6- dimethyl pyrazine FL/FR coffee coffee difuran FL/FR 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 2-tert- butyl pyrazine FL/FR 2- heptyl furan FL/FR (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- acetyl-3-methyl pyrazine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR 2- acetyl-3,5(or 6)-dimethyl pyrazine FL/FR 3,6- cocoa pyrazine FL/FR 2- ethyl-4-methyl thiazole FL/FR filbert heptenone FL/FR filbert heptenone B FL/FR 2,6- lutidine FL/FR methoxymethyl pyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR nutty quinoxaline FL/FR sesame absolute FL/FR phenolic 2,5- xylenol FL/FR roasted trigonella foenum-graecum seed oil CO2 extract FL/FR smoky 2,6- dimethoxyphenol FL/FR pyroligneous acids FL/FR spicy 4- ethyl guaiacol 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 tobacco methyl benzoxole FL/FR For Flavor No flavor group found for these 1,2- butane dithiol FL 2-tert- butyl pyrazine FL/FR 6,7- dimethyl dihydrocyclopentapyrazine FL 2,5- dimethyl pyrazine and 2,6-dimethyl pyrazine mixture 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 methyl 2-(methyl thio) acetate FL 2-( methyl thio) methyl-2-butenal FL 2- methyl-3-(methyl thio) pyrazine FL/FR 3-((2- methyl-3-furyl)thio)-4-heptanone FL pyrazines mixture FL 5- acetyl-2,3-dihydro-1,4-thiazine FL 3,7- dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide FL 2- methyl-1-methyl thio-2-butene FL 3- methyl-1,2,4-trithiane FL alliaceous 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 3- tetrahydrothiophenone FL bacon bacon reaction crispy FL beefy beef jerky flavor FL beef juice flavor FL burnt bacon dithiazine FL 1,6- hexane dithiol FL iso propenyl pyrazine FL/FR caramellic strawberry furanone FL/FR chemical 2,5- dimethyl furan FL coffee coffee difuran FL/FR 2- ethyl-4-methyl thiazole FL/FR furfuryl mercaptan FL/FR methyl furfuryl disulfide 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 2- heptyl furan FL/FR (E)-7- methyl-3-octen-2-one FL/FR fishy 4,5- dimethyl thiazole FL 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 malty yeast thiazoline FL meaty 4- allyl-2,6-dimethoxyphenol FL maple bacon flavor FL bacon flavor FL beef broth flavor FL juicy beef flavor FL roast beef flavor FL BBQ beef flavor FL beef flavor FL beef flavor base FL benzothiazole FL/FR brown flavor FL chicken bone extract FL chicken broth flavor FL chicken extract FL roast chicken flavor FL grilled chicken flavor FL chicken flavor FL chicken key FL chicken soup stock flavor 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 1,1- ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4% 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 pepperoni flavor FL phenyl mercaptan FL roasted pork flavor FL grilled pork flavor FL pork flavor FL propyl 2-mercaptopropionate 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 smoked turkey flavor FL turkey flavor FL roast turkey flavor FL veal flavor FL venison flavor FL medicinal 2,6- dimethoxyphenol FL/FR metallic 2,5- dihydroxy-1,4-dithiane FL moldy strawberry furanone methyl ether FL/FR musty 2,5- dimethyl pyrazine FL/FR 2- ethoxythiazole FL 2,5- xylenol FL/FR nutty 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- acetyl-4-methyl thiazole FL arachis hypogaea fruit extract FL 3,6- cocoa pyrazine FL/FR 1- ethyl-2-acetyl pyrrole FL filbert heptenone FL/FR filbert heptenone B FL/FR 2,6- lutidine FL/FR methoxymethyl pyrazine FL/FR methyl benzoxole FL/FR nutty quinoxaline FL/FR nutty thiazole FL prunus amygdalus amara seed extract FL/FR sesame absolute FL/FR oyster oyster flavor FL phenolic 2- ethyl benzene thiol FL roasted furfuryl thioacetate FL/FR hexyl mercaptan FL trigonella foenum-graecum seed oil CO2 extract FL/FR sausage sausage flavor FL savory 2,4,6- triethyl tetrahydro-1,3,5-dithiazine FL smoky prosopis juliflora wood extract FL pyroligneous acids FL/FR spicy hot spicy beef flavor FL sulfurous 2,3- butane dithiol FL 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 2,4,6- trithiaheptane 10% in triacetin FL tropical 3- mercaptohexyl acetate FL/FR waxy (E)-2- undecenal FL/FR woody 4- ethyl guaiacol FL/FR yeasty faex extracts FL   Potential Uses: FL bacon FL meat   Occurrence (nature, food, other):note   chicken fried chicken Search PMC Picture   Synonyms: 3,5- di-(2-methylpropyl)-1,2,4-trithiolane 3,5-bis(2- methyl propyl)-1,2,4-trithiolane 3,5-bis(2- methylpropyl)-1,2,4-trithiolane 1,2,4- trithiolane, 3,5-bis(2-methylpropyl)-   Articles: US Patents:Flavoring with 3,5-di-(2-methylpropyl)-1,2,4-trithiolane

Notes: None found