4-methyl thiobutyl isothiocyanate
4-(methylthio)butyl thiocyante

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  CODE155154 CODE155154
  Product(s):
  4430-36-8 Erucin ≥98%

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Name: 1-isothiocyanato-4-methylsulfanylbutane CAS Number: 4430-36-8 3D/inchi FDA UNII: CTE370DL3U Nikkaji Web: J682.484F MDL: MFCD01656048 XlogP3-AA: 3.00 (est) Molecular Weight: 161.29067000 Formula: C6 H11 N S2 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: 1892 4-(methylthio)butyl thiocyante FEMA Number: 4414 4-(methylthio)butyl thiocyante FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 4430-36-8 ; 4-(METHYLTHIO)BUTYL ISOTHIOCYANATE   Physical Properties: Appearance: pale yellow to red brown clear liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.08000 to 1.08600 @ 20.00 °C. Pounds per Gallon - (est).: 8.997 to 9.047 Refractive Index: 1.55100 to 1.55600 @ 20.00 °C. Boiling Point: 250.00 to 251.00 °C. @ 760.00 mm Hg (est) Boiling Point: 134.00 to 136.00 °C. @ 14.00 mm Hg Vapor Pressure: 0.034000 mmHg @ 25.00 °C. (est) Flash Point: 221.00 °F. TCC ( 105.00 °C. ) logP (o/w): 2.672 (est) Storage: store under nitrogen. Storage: refrigerate in tightly sealed containers. store under nitrogen. Soluble in:   alcohol   water, very slightly   water, 243.9 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl isothiocyanate amyl isothiocyanate isoamyl isothiocyanate benzyl isothiocyanate 3-buten-1-yl isothiocyanate butyl isothiocyanate isobutyl isothiocyanate sec-butyl isothiocyanate ethyl isothiocyanate 5-hexen-1-yl isothiocyanate hexyl isothiocyanate methyl isothiocyanate 6-methyl thiohexyl isothiocyanate 5-methyl thiopentyl isothiocyanate 4-pentenyl isothiocyanate 2-phenethyl isothiocyanate isopropyl isothiocyanate radish isothiocyanate   Organoleptic Properties: Odor Type: cabbage cabbage radish Odor Description:at 0.01 % in propylene glycol. cabbage radish Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. Butane,1-isothiocyanato-4-(methylthio)- BOC Sciences For experimental / research use only. Erucin ≥98% Parchem 4-methyl thiobutyl isothiocyanate Santa Cruz Biotechnology For experimental / research use only. Erucin ≥98% 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 4-methyl thiobutyl isothiocyanate usage levels up to:   not for fragrance use.   Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library publication number: 23 Click here to view publication 23   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): 1.00000 10.00000 beverages(alcoholic): 1.00000 10.00000 breakfast cereal: - - cheese: 0.50000 5.00000 chewing gum: 5.00000 50.00000 condiments / relishes: 2.00000 20.00000 confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 2.00000 20.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: 0.50000 5.00000 other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: 0.50000 5.00000 soft candy: 2.00000 20.00000 soups: 0.50000 5.00000 sugar substitutes: - - sweet sauces: - -   Safety References: EPI System: View Chemical Carcinogenesis Research Information System:Search AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :78160 National Institute of Allergy and Infectious Diseases:Data 1-isothiocyanato-4-methylsulfanylbutane Chemidplus:0004430368   References:   1-isothiocyanato-4-methylsulfanylbutane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 78160 Pubchem (sid): 135034927 Flavornet: 4430-36-8   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 FDA Substances Added to Food (formerly EAFUS): View CHEMBL: View HMDB (The Human Metabolome Database): HMDB33764 FooDB: FDB011906 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View Wikipedia: View   Potential Blenders and core components note None Found   Potential Uses: FL wasabi   Occurrence (nature, food, other):note   broccoli Search Trop Picture   brussel sprout Search Trop Picture   cabbage leaf Search Trop Picture   kohlrabi stem Search Trop Picture   Synonyms:   butane, 1-isothiocyanato-4-(methylthio)-   butane,1-isothiocyanato-4-(methylthio)-   erucin 4-( methyl thio) butyl isothiocyante 4-( methylthio)butyl isothiocyanate 4-( methylthio)butyl thiocyante 4- methylthiobutyl isothiocyanate 1-iso thiocyanato-4-(methyl thio) butane 1-iso thiocyanato-4-(methylsulfanyl)butane 1-iso thiocyanato-4-(methylthio)butane 1-iso thiocyanato-4-methylsulfanylbutane 4-iso thiocyanatobutyl methyl sulfide (4-iso thiocyanatobutyl)(methyl)sulfane   Articles:   None found yet. 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Notes: Occurs in seeds of salad rocket