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ethyl thiocyanate
thiocyanic acid, ethyl ester

Supplier Sponsors

Name:ethyl thiocyanate
CAS Number: 542-90-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-833-3
FDA UNII: PF9AD5G86Z
Nikkaji Web:J1.602K
Beilstein Number:1737620
MDL:MFCD00001834
XlogP3-AA:1.30 (est)
Molecular Weight:87.14485000
Formula:C3 H5 N S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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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:1.01200 to 1.01400 @ 20.00 °C.
Pounds per Gallon - (est).: 8.431 to 8.447
Refractive Index:1.46200 to 1.46400 @ 20.00 °C.
Boiling Point: 145.00 °C. @ 760.00 mm Hg
Vapor Pressure:5.074000 mmHg @ 25.00 °C. (est)
Flash Point: 109.00 °F. TCC ( 42.80 °C. )
logP (o/w): 1.011 (est)
Soluble in:
 alcohol
 water, 1.155e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Indenta Group
Ethyl Thiocyanate
Santa Cruz Biotechnology
For experimental / research use only.
Ethyl thiocyanate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Ethyl thiocyanate 98%
TCI AMERICA
For experimental / research use only.
Ethyl Thiocyanate >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-cat LDLo 10 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.

intraperitoneal-mouse LD50 10 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Japanese Journal of Pharmacology. Vol. 3, Pg. 99, 1954.

intravenous-mouse LD50 18 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02865

oral-rat LDLo 201 mg/kg
LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.

Dermal Toxicity:
subcutaneous-mouse LD50 70 mg/kg
PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Japanese Journal of Pharmacology. Vol. 3, Pg. 99, 1954.

subcutaneous-rabbit LDLo 15 mg/kg
BEHAVIORAL: ATAXIA BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 150, Pg. 257, 1930.

skin-rat LDLo 2512 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.

subcutaneous-rat LDLo 40 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for ethyl thiocyanate usage levels up to:
 not for fragrance use.
 
Recommendation for ethyl thiocyanate 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):542-90-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10968
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
ethyl thiocyanate
Chemidplus:0000542905
EPA/NOAA CAMEO:hazardous materials
RTECS:XK9900000 for cas# 542-90-5
 
References:
 ethyl thiocyanate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10968
Pubchem (sid):134976507
 
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
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 ethane, thiocyanato-
 ethyl rhodanate
 ethyl rhodanide
(ethyl thio) cyanate
(ethylthio)cyanate
 ethylthiocyanate
 thiocyanatoethane
 thiocyanic acid ethyl ester
 thiocyanic acid, ethyl ester
 
 
Notes:
None found
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