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cyclohexyl isocyanate
isocyanic acid, cyclohexyl ester

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Name:isocyanatocyclohexane
CAS Number: 3173-53-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:221-639-3
FDA UNII: T699595BLW
Nikkaji Web:J36.790G
Beilstein Number:507983
MDL:MFCD00003840
XlogP3-AA:2.80 (est)
Molecular Weight:125.17087000
Formula:C7 H11 N O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:indirect food additives: adhesives and components of coatings
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
DG SANTE Food Contact Materials:cyclohexyl isocyanate
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.98400 to 0.98700 @ 20.00 °C.
Pounds per Gallon - (est).: 8.197 to 8.222
Refractive Index:1.45400 to 1.45700 @ 20.00 °C.
Flash Point: 120.00 °F. TCC ( 48.89 °C. )
Soluble in:
 water, 235.8 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Sigma-Aldrich: Aldrich
For experimental / research use only.
Cyclohexyl Isocyanate 98%
TCI AMERICA
For experimental / research use only.
Cyclohexyl Isocyanate >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:
intraperitoneal-mouse LD50 13 mg/kg
National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986

intravenous-mouse LD50 18 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04502

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
indirect food additives: adhesives and components of coatings
Recommendation for cyclohexyl isocyanate usage levels up to:
 not for fragrance use.
 
Recommendation for cyclohexyl isocyanate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):3173-53-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18502
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
isocyanatocyclohexane
Chemidplus:0003173533
EPA/NOAA CAMEO:hazardous materials
RTECS:3173-53-3
 
References:
 isocyanatocyclohexane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3173-53-3
Pubchem (cid):18502
Pubchem (sid):134983445
 
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
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2929.10.6090
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
isocyanatocyclohexane
isocyanic acid, cyclohexyl ester
 cyclohexane, isocyanato-
 cyclohexylisocyanate
 
 
Notes:
None found
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