2,4,6-trimethyl-1,3,5-trithiane
1,3,5-trithiane, 2,4,6-trimethyl-

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  CODE159669 CODE159669
  Product(s):
  23769-39-3 (2a,4a,6a-2,4,6-trimethyl-1,3,5-trithiane 95%

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CAS Number: 23769-39-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 245-870-4 FDA UNII: K8GLL4NEZI Nikkaji Web: J242.673K XlogP3-AA: 3.50 (est) Molecular Weight: 180.35664000 Formula: C6 H12 S3 BioActivity Summary: listing 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   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Melting Point: 100.00 to 102.00 °C. @ 760.00 mm Hg Boiling Point: 245.00 to 247.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.040000 mmHg @ 25.00 °C. (est) Flash Point: 217.00 °F. TCC ( 102.60 °C. ) (est) logP (o/w): 3.546 (est) Soluble in:   water, 16.6 mg/L @ 25 °C (est)   Organoleptic Properties: Odor Type: sulfurous sulfurous onion green onion onion Odor Description:at 0.01 % in propylene glycol. sulfurous green onion Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. (2a,4a,6a-2,4,6-trimethyl-1,3,5-trithiane 95% 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 2,4,6-trimethyl-1,3,5-trithiane usage levels up to:   not for fragrance use.     Safety References: 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 :17696 National Institute of Allergy and Infectious Diseases:Data 2,4,6-trimethyl-1,3,5-trithiane Chemidplus:0002765040   References:   2,4,6-trimethyl-1,3,5-trithiane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 17696 Pubchem (sid): 134982434   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): HMDB31671 FooDB: FDB008331 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor alliaceous dimethyl trisulfide FL/FR dipropyl disulfide FL/FR ferula assa-foetida gum oil FL/FR propyl mercaptan FL/FR citrus grapefruit mercaptan FL/FR coffee coffee difuran FL/FR ethereal 2- methyl-1-butanol FL/FR meaty meaty dithiane FL/FR sulfurous dimethyl disulfide FL/FR dimethyl sulfide FL/FR ferula assa-foetida absolute FL/FR methyl 3-(methyl thio) propionate FL/FR 2- methyl 5-(methyl thio) furan FL/FR 3-( methyl thio) hexanol FL/FR onion oil FL/FR For Flavor No flavor group found for these allyl methyl disulfide FL allyl methyl trisulfide FL allyl propyl disulfide FL allyl propyl sulfide FL allyl propyl trisulfide FL iso amyl mercaptan FL diethyl trisulfide FL (Z+E)-2,5- dimethyl-3-tetrahydrofuran thiol FL (Z+E)-2,5- dimethyl-3-thioacetoxytetrahydrofuran FL dipropyl sulfide FL ethyl methyl trisulfide FL ethyl propyl disulfide FL ethyl propyl trisulfide FL heptyl mercaptan FL 2-( methyl thio) methyl-2-butenal FL propenyl propyl disulfide FL iso propyl disulfide FL 2,3,5- trithiahexane FL alliaceous alliaceous allyl disulfide FL allyl mercaptan FL allyl thiopropionate FL benzyl mercaptan FL 1,3- butane dithiol FL cyclopentyl mercaptan FL dicyclohexyl disulfide FL diethyl disulfide FL dimethyl trisulfide FL/FR dipropyl disulfide FL/FR dipropyl trisulfide FL ferula assa-foetida gum oil FL/FR 3- mercapto-2-methyl pentanol FL 3- mercapto-2-pentanone FL methyl 3-mercaptobutanoate FL 2- methyl thioacetaldehyde FL propyl mercaptan FL/FR cabbage methyl 2-thiofuroate FL citrus grapefruit mercaptan FL/FR coffee coffee difuran FL/FR corn chip 2- acetyl-2-thiazoline FL eggy iso propyl mercaptan FL ethereal 2- methyl-1-butanol FL/FR garlic allyl methyl sulfide FL garlic oleoresin FL meaty meaty dithiane FL/FR (R,S)-2- mercapto-3-butanol FL bis(2- methyl-3-furyl) disulfide FL ortho- thiocresol FL metallic 3-( methyl thio) hexanol FL/FR musty 2- methyl 5-(methyl thio) furan FL/FR onion methionol FL methyl propyl disulfide FL methyl propyl trisulfide FL propyl thioacetate FL roasted ethyl 3-(furfuryl thio) propionate FL seafood 1,4- dithiane FL sulfurous allyl sulfide FL butyl mercaptan FL diallyl polysulfides FL diallyl tetrasulfide FL diallyl trisulfide FL dimethyl disulfide FL/FR dimethyl sulfide FL/FR S- ethyl thioacetate FL ferula assa-foetida absolute FL/FR furfuryl methyl sulfide FL furfuryl thiopropionate FL 3- mercapto-2-methyl pentanal FL methyl 2-(methyl thio) butyrate FL methyl 2-methyl-3-furyl disulfide FL methyl thiomethyl butyrate FL onion oil FL/FR onion oleoresin FL vegetable methyl 3-(methyl thio) propionate FL/FR   Potential Uses: FL currant black currant   Occurrence (nature, food, other):note   chicken fried chicken Search PMC Picture   Synonyms: (2a,4a,6a)-2,4,6- trimethyl-1,3,5-trithiane (2alpha,4alpha,6alpha)-2,4,6- trimethyl-1,3,5-trithiane 1,3,5- trithiane, 2,4,6-trimethyl- s- trithiane, 2,4,6-trimethyl-   Articles: PubMed:Syntheses and molecular structures of some tricobalt carbonyl clusters containing 2,4,6-trimethyl-1,3,5-trithiane.

Notes: Modifier for blackcurrant flavour