6-(methyl thio) hexyl isothiocyanate
hexane, 1-isothiocyanato-6-(methylsulfinyl)-

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Name: 1-isothiocyanato-6-(methylsulfinyl)hexane CAS Number: 4430-35-7 3D/inchi FDA UNII: 8RUP6Q3JBB Nikkaji Web: J385.660G XlogP3-AA: 2.10 (est) Molecular Weight: 205.34375000 Formula: C8 H15 N O S2 BioActivity Summary: listing NMR Predictor: Predict (works with chrome, Edge or firefox) Category:natural substances and extractives   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 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 Boiling Point: 385.00 to 386.00 °C. @ 760.00 mm Hg (est) Flash Point: 369.00 °F. TCC ( 187.20 °C. ) (est) logP (o/w): 0.959 (est) Soluble in:   water, 1450 mg/L @ 25 °C (est)   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Santa Cruz Biotechnology For experimental / research use only. 6-Methylsulfinylhexyl Isothiocyanate   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: natural substances and extractives Recommendation for 6-(methyl thio) hexyl isothiocyanate usage levels up to:   not for fragrance use.   Recommendation for 6-(methyl thio) hexyl isothiocyanate flavor usage levels up to:   not for flavor 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 :9815648 National Institute of Allergy and Infectious Diseases:Data 1-isothiocyanato-6-(methylsulfinyl)hexane Chemidplus:C111984000   References:   1-isothiocyanato-6-(methylsulfinyl)hexane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 9815648 Pubchem (sid): 135272443   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 CHEMBL: View HMDB (The Human Metabolome Database): HMDB38461 FooDB: FDB017820 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   hesperis matronalis Search Trop Picture   wasabi Search Trop Picture   Synonyms:   hexane, 1-isothiocyanato-6-(methylsulfinyl)- 6-( methyl sulfinyl) hexyl isothiocyanate 6-( methylsulfinyl) hexyl isothiocyanate 6-( methylsulfinyl)hexyl isothiocyanate 6- methylsulfinylhexyl isothiocyanate 6-( methylthio)hexyl isothiocyanate 1-iso thiocyanato-6-(methylsulfinyl)-hexane 1-iso thiocyanato-6-(methylsulfinyl)hexane 6-iso thiocyanatohexyl methyl sulfoxide iso thiocyanic acid 6-methylhexylsulfinyl ester   Articles: J-Stage:Glycogen Synthase Kinase-3ß Inhibition of 6-(Methylsulfinyl)hexyl Isothiocyanate Derived from Wasabi (Wasabia japonica Matsum)

Notes: Mustard oil from dame's violet (Hesperis matronalis). Flavour component of Japanese horseradish (Wasabia japonica)

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