3,5-diisopropyl-1,2,4-trithiolane
3,5-di-isopropyl-1,2,4-trithiolane

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  Product(s):
  54934-99-5 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- 95%

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  R C Treatt and Co Ltd

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  Product(s):
  3,5-Di-isobutyl-1,2,4-trithiolane Experimental 85%

Name: 3,5-di(propan-2-yl)-1,2,4-trithiolane CAS Number: 54934-99-5 3D/inchi FDA UNII: Search Nikkaji Web: J101.783G XlogP3-AA: 4.30 (est) Molecular Weight: 208.41052000 Formula: C8 H16 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: 15.048 3,5-di-isopropyl-1,2,4-trithiolane   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Melting Point: 133.00 °C. @ 760.00 mm Hg Boiling Point: 279.00 to 281.00 °C. @ 760.00 mm Hg (est) Boiling Point: 263.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.006000 mmHg @ 25.00 °C. (est) Flash Point: 248.00 °F. TCC ( 120.00 °C. ) logP (o/w): 5.487 (est) Soluble in:   alcohol   water, 14.93 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: meaty meaty bacon smoky Odor Description:at 0.01 % in propylene glycol. powerful crispy bacon Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- 95% R C Treatt & Co Ltd 3,5-Di-isobutyl-1,2,4-trithiolane Experimental 85% Odor: Very powerful “crispy bacon” note   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-diisopropyl-1,2,4-trithiolane usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0061 (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): 0.02000 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 :529049 National Institute of Allergy and Infectious Diseases:Data 3,5-di(propan-2-yl)-1,2,4-trithiolane   References:   3,5-di(propan-2-yl)-1,2,4-trithiolane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 529049 Pubchem (sid): 10341135   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 nutty 2- methyl-3-(methyl thio) pyrazine FL/FR phenolic ortho- guaiacol FL/FR 2,5- xylenol FL/FR smoky 2,6- dimethoxyphenol FL/FR 4- ethyl phenol FL/FR pyroligneous acids FL/FR spicy 4- ethyl guaiacol FL/FR For Flavor No flavor group found for these 1,2- butane dithiol 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 dihydrofuran thiol FL 2- methyl-3-(methyl thio) pyrazine FL/FR 3-((2- methyl-3-furyl)thio)-4-heptanone FL 4-((2- methyl-3-furyl)thio)-5-nonanone FL thioacetic acid FL 3,7- dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide FL 2- methyl-1-methyl thio-2-butene FL alliaceous alliaceous allyl mercaptan FL burnt bacon dithiazine FL chemical 2,5- dimethyl furan FL fried crisp enhancers FL meaty 4- allyl-2,6-dimethoxyphenol FL 2,6- dimethyl thiophenol FL 1,1- ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4% FL meaty enhancers FL (R,S)-2- mercapto-3-butanol FL bis(2- methyl-3-furyl) disulfide FL S-(2- methyl-3-furyl) ethane thioate FL propyl 2-mercaptopropionate FL 2- pyridinyl methane thiol FL thialdine FL medicinal 2,6- dimethoxyphenol FL/FR musty 2,5- xylenol FL/FR nutty 3- acetyl-2,5-dimethyl thiophene FL nutty thiazole FL roasted 3,5- diisobutyl-1,2,4-trithiolane FL smoky 4- ethyl phenol FL/FR pyroligneous acids FL/FR sulfurous furfuryl thiopropionate FL 2- naphthyl mercaptan FL roasted butanol FL 2,4,6- trithiaheptane 10% in triacetin FL woody 4- ethyl guaiacol FL/FR ortho- guaiacol FL/FR   Potential Uses: FL bacon FR hawthorn FL meat   Occurrence (nature, food, other):note   found in nature   Synonyms: 3,5- di-isopropyl-1,2,4-trithiolane 3,5- di(propan-2-yl)-1,2,4-trithiolane 1,2,4- trithiolane, 3,5-bis(1-methylethyl)-   Articles:   None found yet. 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Notes: None found