5-(methyl thio) valeronitrile
pentanenitrile, 5-(methylthio)-
 
Notes:
Flavouring compound [Flavornet]
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CAS Number: 59121-25-4Picture of molecule3D/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:
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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
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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).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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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.
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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
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References:
 5-methylsulfanylpentanenitrile
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 93320
Pubchem (sid): 135051217
Flavornet: 59121-25-4
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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
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 mustard field mustard seed
Search Trop  Picture
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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)-
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