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valeronitrile
succinic acid nitrile

Supplier Sponsors

Name:pentanenitrile
CAS Number: 110-59-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-781-8
FDA UNII: X44H3R47D4
Nikkaji Web:J5.095D
Beilstein Number:1736706
MDL:MFCD00001974
XlogP3:1.10 (est)
Molecular Weight:83.13373000
Formula:C5 H9 N
BioActivity Summary:listing
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
Specific Gravity:0.79900 to 0.80100 @ 20.00 °C.
Pounds per Gallon - (est).: 6.656 to 6.673
Refractive Index:1.39600 to 1.39800 @ 20.00 °C.
Boiling Point: 141.00 to 142.00 °C. @ 760.00 mm Hg
Vapor Pressure:5.794000 mmHg @ 25.00 °C. (est)
Flash Point: 105.00 °F. TCC ( 40.56 °C. )
logP (o/w): 1.120
Soluble in:
 alcohol
 water, 7746 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
Valeronitrile
Sigma-Aldrich: Aldrich
For experimental / research use only.
Valeronitrile 99.5%
TCI AMERICA
For experimental / research use only.
Valeronitrile >98.0%(GC)
 
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:
oral-mouse LD50 191 mg/kg
Archives of Toxicology. Vol. 55, Pg. 47, 1984.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for valeronitrile usage levels up to:
 not for fragrance use.
 
Recommendation for valeronitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):110-59-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8061
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
pentanenitrile
Chemidplus:0000110598
EPA/NOAA CAMEO:hazardous materials
RTECS:YV8195000 for cas# 110-59-8
 
References:
 pentanenitrile
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):8061
Pubchem (sid):134974517
Pherobase:View
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40173
FooDB:FDB019884
Export Tariff Code:2926.90.5050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 egg cooked egg
Search PMC Picture
 
Synonyms:
1,4-butanedinitrile
1-butyl cyanide
N-butyl cyanide
N-butyronitrile
1-cyanobutane
 pentane nitrile
 pentanenitrile
 succinic acid nitrile
 succinic dinitrile
 succinodinitrile
N-valeronitrile
 
 
Notes:
Constit. of various Brassica spp.
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