S-methyl hexanethioate
hexanethioic acid, S-methyl ester

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  Axxence Aromatic GmbH

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  CODE158305 CODE158305
  Product(s):
  386200 METHYL HEXANETHIOATE, Natural, Kosher

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  BOC Sciences

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  Product(s):
  20756-86-9 S-(Methylthio) hexanoate

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  Penta International Corporation

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  For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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  Product(s):
  13-50505 S-METHYL HEXANETHIOATE NATURAL 5% IN ETHYL ALCOHOL

Name: S-methyl hexanethioate CAS Number: 20756-86-9 3D/inchi FDA UNII: MC7G128ACI Nikkaji Web: J125.770F MDL: MFCD03426527 CoE Number: 11515 XlogP3-AA: 2.60 (est) Molecular Weight: 162.25198000 Formula: C7 H14 O2 S 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: 489 S-methyl hexanethioate DG SANTE Food Flavourings: 12.156 S-methyl hexanethioate   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.82900 to 0.83400 @ 25.00 °C. Pounds per Gallon - (est).: 6.898 to 6.940 Refractive Index: 1.47700 to 1.48200 @ 20.00 °C. Boiling Point: 118.00 to 121.00 °C. @ 20.00 mm Hg Boiling Point: 168.00 to 167.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.638000 mmHg @ 25.00 °C. (est) Flash Point: 140.00 °F. TCC ( 60.00 °C. ) logP (o/w): 2.897 (est) Soluble in:   alcohol   oils   water, 1066 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl hexanoate allyl thiohexanoate amyl hexanoate isoamyl hexanoate para-anisyl hexanoate benzyl hexanoate butyl hexanoate isobutyl hexanoate sec-butyl hexanoate cinnamyl hexanoate citronellyl hexanoate meta-cresyl hexanoate para-cresyl hexanoate cyclohexyl hexanoate decyl hexanoate dimethyl benzyl carbinyl hexanoate ethyl 2-acetyl hexanoate ethyl hexanoate furfuryl hexanoate geranyl hexanoate heptyl hexanoate sec-heptyl hexanoate (E)-3-hexen-1-yl hexanoate (E)-2-hexen-1-yl hexanoate (Z)-3-hexen-1-yl hexanoate hexyl hexanoate linalyl hexanoate menthyl hexanoate 3-mercaptohexyl hexanoate 2-methyl butyl hexanoate methyl hexanoate neryl hexanoate octyl hexanoate (Z)-2-penten-1-yl hexanoate phenethyl hexanoate 3-phenyl propyl hexanoate prenyl hexanoate propyl hexanoate isopropyl hexanoate sulfuryl hexanoate   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. Hexanoic acid, 6-mercapto-, methyl ester Axxence Aromatic METHYL HEXANETHIOATE, Natural, Kosher Sustainability BOC Sciences For experimental / research use only. S-(Methylthio) hexanoate Parchem methyl thiohexanoate Penta International S-METHYL HEXANETHIOATE NATURAL 5% IN ETHYL ALCOHOL Sigma-Aldrich: Aldrich For experimental / research use only. Methyl Hexanethioate sds   Safety Information: Preferred SDS: View   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 S-methyl hexanethioate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day) Structure Class: I   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 EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):20756-86-9 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :75515 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 S-methyl hexanethioate Chemidplus:0002432771   References:   S-methyl hexanethioate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 75515 Pubchem (sid): 135032442 Pherobase: View   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): HMDB39465 FooDB: FDB019069 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View FAO: S-Methyl hexanethioate   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   beer Search PMC Picture   durian fruit Search Trop Picture   hop oil Search Trop Picture   mushroom Search PMC Picture   Synonyms:   hexanethioic acid, S-methyl ester   methyl hexane thioate ( methyl thio) hexanoate   methyl thiohexanoate S- methyl thiohexanoate   methyl thiol hexanoate   methyl-6-mercaptohexanoate ( methylthio)hexanoate   Articles:   None found yet. 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Notes: Present in durian fruit (Durio zibethinus), fish oil, beer and hop oil. Flavouring ingredient