5-(methyl thio) valeronitrile
pentanenitrile, 5-(methylthio)-

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Name: 5-methylsulfanylpentanenitrile CAS Number: 59121-25-4 3D/inchi FDA UNII: Search Nikkaji Web: J45.902J XlogP3-AA: 1.30 (est) Molecular Weight: 129.22567000 Formula: C6 H11 N S 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: Appearance: colorless to pale yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 241.00 to 242.00 °C. @ 760.00 mm Hg (est) Vapor Pressure: 0.037000 mmHg @ 25.00 °C. (est) Flash Point: 211.00 °F. TCC ( 99.60 °C. ) (est) logP (o/w): 1.125 (est) Soluble in:   alcohol   water, 3117 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: cabbage broccoli cabbage Odor Description:at 0.10 % in dipropylene glycol. broccoli cabbage Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers:   None found   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 5-(methyl thio) valeronitrile usage levels up to:   not for fragrance use.   Recommendation for 5-(methyl thio) valeronitrile 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 :93320 National Institute of Allergy and Infectious Diseases:Data 5-methylsulfanylpentanenitrile Chemidplus:0059121254   References:   5-methylsulfanylpentanenitrile NIST Chemistry WebBook: Search Inchi Pubchem (cid): 93320 Pubchem (sid): 135051217 Flavornet: 59121-25-4   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): Search FooDB: FDB029658 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   mustard field mustard seed Search Trop Picture   Synonyms: 1- cyano-4-(methyl thio) butane 1- cyano-4-(methylthio)butane 5-( methyl thio) pentane nitrile 5- methyl thiopentane nitrile 5- methylsulfanylpentanenitrile 5-( methylthio)pentanenitrile 5-( methylthio)valeronitrile   pentanenitrile, 5-(methylthio)-   Articles: PubMed:4-Methylthio-butanyl derivatives from the seeds of Raphanus sativus and their biological evaluation on anti-inflammatory and antitumor activities.

Notes: Flavouring compound [Flavornet]

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