EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

benzonitrile
phenylcyanide

Supplier Sponsors

Name:benzonitrile
CAS Number: 100-47-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-855-7
FDA UNII: 9V9APP5H5S
Nikkaji Web:J3.590D
Beilstein Number:506893
MDL:MFCD00001770
XlogP3:1.60 (est)
Molecular Weight:103.12385000
Formula:C7 H5 N
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:cosmetic fragrance agents and aromatic raw materials
 
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
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: -14.00 to -12.00 °C. @ 760.00 mm Hg
Boiling Point: 191.00 to 193.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.768000 mmHg @ 25.00 °C.
Flash Point: 159.00 °F. TCC ( 70.56 °C. )
logP (o/w): 1.560
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen.
Storage:store under nitrogen.
Soluble in:
 alcohol
 water, 2000 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Substantivity:4 Hour(s)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
EMD Millipore
For experimental / research use only.
Benzonitrile
sds
Glentham Life Sciences
Benzonitrile
Penta International
BENZONITRILE
Sigma-Aldrich
For experimental / research use only.
Benzonitrile anhydrous, ≥99%
TCI AMERICA
For experimental / research use only.
Benzonitrile >99.0%(GC)
sds
Vigon International
Benzonitrile
 
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:
intraperitoneal-rat LD50 740 mg/kg
LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: MUSCLE WEAKNESS
Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990.

oral-rabbit LD50 800 mg/kg
BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979.

intraperitoneal-rabbit LD50 1250 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979.

oral-mouse LD50 971 mg/kg
Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984.

intraperitoneal-mouse LD50 400 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979.

oral-cat LD50 800 mg/kg
BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979.

oral-mammal (species unspecified) LD50 800 mg/kg
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.

oral-rat LDLo 720 mg/kg
Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974

Dermal Toxicity:
skin-rat LD50 1200 mg/kg
Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974

skin-rabbit LD50 1250 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979.

subcutaneous-frog LDLo 1700 mg/kg
LUNGS, THORAX, OR RESPIRATION: DYSPNEA CARDIAC: OTHER CHANGES PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.

subcutaneous-rabbit LDLo 200 mg/kg
LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.

Inhalation Toxicity:
inhalation-mouse LC50 1800 mg/m3
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(6), Pg. 34, 1977.

inhalation-rat LCLo 950 ppm/8H
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974
 
Safety in Use Information:
Category:
cosmetic fragrance agents and aromatic raw materials
Recommendation for benzonitrile usage levels up to:
 not for fragrance use.
 
Recommendation for benzonitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):100-47-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7505
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
benzonitrile
Chemidplus:0000100470
EPA/NOAA CAMEO:hazardous materials
RTECS:100-47-0
 
References:
 benzonitrile
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:100-47-0
Pubchem (cid):7505
Pubchem (sid):134972561
Flavornet:100-47-0
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
CHEBI:View
CHEMBL:View
Metabolomics Database:Search
UM BBD:Search
KEGG (GenomeNet):C09814
HMDB (The Human Metabolome Database):Search
FooDB:FDB029710
Export Tariff Code:2926.90.0800
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
•99.5% min wtwater content of 0.40% max •grades of purity: pure, 99+%
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FRpeanut
 trassi
 
Occurrence (nature, food, other):note
 filipendula ulmaria
Search Trop Picture
 hemerocallis minor
Search Trop Picture
 silk tree
Search Trop Picture
 
Synonyms:
 benzene, cyano-
 benzenecarbonitrile
 benzenenitrile
 benzoic acid nitrile
 cyanobenzene
 phenyl cyanide
 phenylcyanide
 
 
Notes:
Flavouring compound [Flavornet]
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