sec-butyl isothiocyanate
2-butylisothiocyanate

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  CODE101388 CODE101388
  Product(s):
  4426-79-3 2-Butyl isothiocyanate

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  I0481 sec-Butyl Isothiocyanate >98.0%(GC)
  SDS

Name: 2-isothiocyanatobutane CAS Number: 4426-79-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 224-609-8 FDA UNII: 126JI237AW Nikkaji Web: J101.009C MDL: MFCD00041108 XlogP3: 2.80 (est) Molecular Weight: 115.19873000 Formula: C5 H9 N S NMR Predictor: Predict (works with chrome, Edge or firefox) Name: (2R)-2-isothiocyanatobutane CAS Number: 4426-79-3 (R) 3D/inchi FDA UNII: Search Nikkaji Web: J57.207A XlogP3: 2.80 (est) Molecular Weight: 115.19873000 Formula: C5 H9 N S NMR Predictor: Predict (works with chrome, Edge or firefox) Name: (2S)-2-isothiocyanatobutane CAS Number: 4426-79-3 (S) 3D/inchi FDA UNII: Search Nikkaji Web: J57.206C XlogP3: 2.80 (est) Molecular Weight: 115.19873000 Formula: C5 H9 N 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: 1890 2-butyl isothiocyanate FEMA Number: 4419 2-butylisothiocyanate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 4426-79-3 ; 2-BUTYLISOTHIOCYANATE   Physical Properties: Appearance: colorless to yellow clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.93800 to 0.94600 @ 25.00 °C. Pounds per Gallon - (est).: 7.805 to 7.872 Refractive Index: 1.49000 to 1.49700 @ 20.00 °C. Boiling Point: 159.00 to 160.00 °C. @ 760.00 mm Hg Vapor Pressure: 3.240000 mmHg @ 25.00 °C. (est) Flash Point: 111.00 °F. TCC ( 43.89 °C. ) logP (o/w): 2.810 Soluble in:   alcohol   water, 416 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 ethyl isothiocyanate 5-hexen-1-yl isothiocyanate hexyl isothiocyanate methyl isothiocyanate 4-methyl thiobutyl isothiocyanate 6-methyl thiohexyl isothiocyanate 5-methyl thiopentyl isothiocyanate 4-pentenyl isothiocyanate 2-phenethyl isothiocyanate isopropyl isothiocyanate radish isothiocyanate   Organoleptic Properties: Odor Type: green green Odor Description:at 0.01 % in propylene glycol. green Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. Butane,2-isothiocyanato- BOC Sciences For experimental / research use only. 2-Butyl isothiocyanate Matrix Scientific For experimental / research use only. 2-Butyl isothiocyanate, 98% sds Penta International 2-BUTYL ISOTHIOCYANATE Santa Cruz Biotechnology For experimental / research use only. 2-Butyl isothiocyanate Sigma-Aldrich: Aldrich For experimental / research use only. 2-isoThiocyanatobutane sds TCI AMERICA For experimental / research use only. sec-Butyl Isothiocyanate >98.0%(GC) 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 sec-butyl 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: 2.00000 20.00000 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: 15.00000 80.00000 confectionery froastings: - - egg products: - - fats / oils: 1.00000 10.00000 fish products: 1.00000 5.00000 frozen dairy: 1.00000 5.00000 fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: 1.00000 10.00000 hard candy: 2.00000 20.00000 imitation dairy: 1.00000 10.00000 instant coffee / tea: - - jams / jellies: - - meat products: 0.50000 5.00000 milk products: - - nut products: 0.50000 5.00000 other grains: - - poultry: - - processed fruits: - - processed vegetables: 0.50000 5.00000 reconstituted vegetables: 0.50000 5.00000 seasonings / flavors: 5.00000 50.00000 snack foods: 1.00000 10.00000 soft candy: 2.00000 20.00000 soups: 0.50000 5.00000 sugar substitutes: - - sweet sauces: - -   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 :78151 National Institute of Allergy and Infectious Diseases:Data WISER:UN 1760 WGK Germany:3 2-isothiocyanatobutane Chemidplus:0004426793 (2R)-2-isothiocyanatobutane (2S)-2-isothiocyanatobutane   References:   2-isothiocyanatobutane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 78151 Pubchem (sid): 135034754 Pherobase: View   (2R)-2-isothiocyanatobutane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 5399110 Pubchem (sid): 39411046   (2S)-2-isothiocyanatobutane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 737359 Pubchem (sid): 35413223   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 HMDB (The Human Metabolome Database): Search FooDB: FDB009045 Export Tariff Code: 2930.90.9190 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor alliaceous dibutyl sulfide FL/FR floral 2- phenyl-2-pentenal FL/FR fruity furfuryl acetate FL/FR hexyl (E)-tiglate FL/FR green (Z)- leaf acetal FL/FR 1- penten-3-ol FL/FR musty cocoa butenal FL/FR nutty shoyu pyrazine FL/FR 2,4,5- trimethyl oxazole FL/FR spicy ethyl vinyl ketone FL/FR sulfurous cassis pentanone FL/FR dimethyl sulfide FL/FR methyl 3-(methyl thio) propionate FL/FR 2- methyl 5-(methyl thio) furan FL/FR 3-( methyl thio) hexanol FL/FR 2- phenethyl isothiocyanate FL/FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these allyl alcohol FL iso butyl mercaptan FL ethyl isothiocyanate FL 3- hydroxypyruvic acid FL methyl isothiocyanate FL 4- methyl thiobutyl isothiocyanate FL 6- methyl thiohexyl isothiocyanate FL 5- methyl thiopentyl isothiocyanate FL 4- pentenyl isothiocyanate FL 2- phenethyl isothiocyanate FL/FR acetic acetic formic acid FL alliaceous benzyl mercaptan FL cyclopentyl mercaptan FL 3- mercapto-2-pentanone FL 2- methyl thioacetaldehyde FL iso propyl isothiocyanate FL burnt methyl phenyl disulfide FL 2,4,5- trimethyl oxazole FL/FR estery furfuryl acetate FL/FR green cassis pentanone FL/FR cocoa butenal FL/FR dibutyl sulfide FL/FR 2- furyl acetone FL hexyl (E)-tiglate FL/FR (Z)- leaf acetal FL/FR 1- penten-3-ol FL/FR 2- phenyl-2-pentenal FL/FR meaty 2- methyl 3-(methyl thio) furan FL metallic 3-( methyl thio) hexanol FL/FR mustard allyl isothiocyanate FL musty 2- methyl 5-(methyl thio) furan FL/FR shoyu pyrazine FL/FR onion methyl propyl disulfide FL spicy benzyl isothiocyanate FL ethyl vinyl ketone FL/FR sulfurous allyl sulfide FL dimethyl sulfide FL/FR furfuryl methyl sulfide FL 1-( methyl thio)-2-butanone FL vegetable methyl 3-(methyl thio) propionate FL/FR 2- octen-4-one FL/FR radish isothiocyanate FL   Potential Uses: FL horseradish FL mustard FL radish FL wasabi   Occurrence (nature, food, other):note   brassica rapa Search Trop Picture   broccoli asparagus broccoli plant Search Trop Picture   broccoli asparagus broccoli seed Search Trop Picture   brussel sprout seed Search Trop Picture   cabbage seed Search Trop Picture   cardamine amara Search Trop Picture   horseradish seed Search Trop Picture   lepidium latifolium Search Trop Picture   sisymbrium loeselii Search Trop Picture   Synonyms:   butan-2-isothiocyanate   butane, 2-isothiocyanato-   butane,2-isothiocyanato- 2- butyl isothiocyanate 2- butylisothiocyanate sec- butylisothiocyanate 1- methyl propyl isothiocyanate 1- methylpropyl isothiocyanate 2-iso thiocyanato-butane 2-iso thiocyanatobutane iso thiocyanic acid 2-butyl ester iso thiocyanic acid sec-butyl ester iso thiocyanic acid, sec-butyl ester   Articles:   None found yet. 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Notes: None found