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cyclohexyl isothiocyanate
cyclohexanisothiocyanate

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Name:isothiocyanatocyclohexane
CAS Number: 1122-82-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-361-9
FDA UNII: Search
Nikkaji Web:J23.461C
Beilstein Number:774525
MDL:MFCD00003841
XlogP3-AA:3.40 (est)
Molecular Weight:141.23667000
Formula:C7 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:
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:1.03400 to 1.03900 @ 20.00 °C.
Pounds per Gallon - (est).: 8.614 to 8.656
Refractive Index:1.53300 to 1.53900 @ 20.00 °C.
Boiling Point: 219.00 to 220.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.180000 mmHg @ 25.00 °C. (est)
Flash Point: 204.00 °F. TCC ( 95.60 °C. ) (est)
logP (o/w): 3.106 (est)
Soluble in:
 alcohol
 water, 74.03 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Cyclohexyl isothiocyanate 95%
Matrix Scientific
For experimental / research use only.
Cyclohexyl isothiocyanate, 98%
Santa Cruz Biotechnology
For experimental / research use only.
Cyclohexyl isothiocyanate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Cyclohexyl isothiocyanate 98%
TCI AMERICA
For experimental / research use only.
Cyclohexyl Isothiocyanate >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-rat LDLo 300 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 870, 1966.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for cyclohexyl isothiocyanate usage levels up to:
 not for fragrance use.
 
Recommendation for cyclohexyl isothiocyanate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1122-82-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :14289
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
isothiocyanatocyclohexane
Chemidplus:0001122823
RTECS:NX8480000 for cas# 1122-82-3
 
References:
 isothiocyanatocyclohexane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):14289
Pubchem (sid):134980298
 
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
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 rice steamed rice
Search PMC Picture
 
Synonyms:
 cyclohexane, isothiocyanato-
 cyclohexanisothiocyanate
isothiocyanatocyclohexane
isothiocyanic acid cyclohexyl ester
isothiocyanic acid, cyclohexyl ester
isothiocyanocyclohexane
 
 
Notes:
None found
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