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5-(methyl thio) valeronitrile

Chemical Structure

General Material Information

Preferred name 5-(methyl thio) valeronitrile
Trivial Name 5-(Methylthio)pentanenitrile
Short Description pentanenitrile, 5-(methylthio)-
Formula C6 H11 N S
CAS Number 59121-25-4
FDA UNII Search
Nikkaji Number J45.902J
xLogP3-AA 1.30 (est)
NMR Predictor External link
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)-
  • 5-methylsulfanylpentanenitrile
  • Valeronitrile, 5-(methylthio)-
  • 5-(Methylthio)pentanenitrile
  • 1-Cyano-4-(methylthio)butane
  • 4-(Methylthio)butyl cyanide
  • 4-Cyanobutyl methyl sulfide
  • 5-Methylthiopentanenitrile
  • Erucin nitrile
  • 5-(Methylsulfanyl)pentanenitrile

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Literature & References

5-methylsulfanylpentanenitrile
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):93320
Pubchem (sid):135051217
Flavornet:59121-25-4
Publications by PubMed
4-Methylthio-butanyl derivatives from the seeds of Raphanus sativus and their biological evaluation on anti-inflammatory and antitumor activities.

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 129.22567749023
Boiling Point 241 to 242°C @ 760 mm Hg
Vapor Pressure 0.037 mmHg @ 25 °C
Flash Point TCC Value 99.6 °C TCC
logP (o/w) 1.125 est
Solubility
alcohol Yes
water, 3117 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Cabbage
broccoli, cabbage
General comment At 0.10 % in dipropylene glycol. broccoli cabbage

Occurrences

Safety Information

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