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

benzyl thiocyanate
alpha-thiocyanatotoluene

Supplier Sponsors

CAS Number: 3012-37-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:221-144-2
FDA UNII: YX8TAO9O90
Nikkaji Web:J7.663E
Beilstein Number:1859726
MDL:MFCD00001832
XlogP3:2.00 (est)
Molecular Weight:149.21579000
Formula:C8 H7 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
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
Soluble in:
 water, 1528 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
Benzyl Thiocyanate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Benzyl Thiocyanate 97%
sds
TCI AMERICA
For experimental / research use only.
Benzyl Thiocyanate >99.0%(GC)
sds
 
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 17 mg/kg
Pesticide Biochemistry and Physiology. Vol. 2, Pg. 95, 1972.

intraperitoneal-rat LDLo 40 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 870, 1966.

Dermal Toxicity:
subcutaneous-mouse LD50 100 mg/kg
PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Japanese Journal of Pharmacology. Vol. 3, Pg. 99, 1954.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for benzyl thiocyanate usage levels up to:
 not for fragrance use.
 
Recommendation for benzyl thiocyanate 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
Carcinogenic Potency Database:Search
EPA Substance Registry Services (TSCA):3012-37-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18170
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
benzyl thiocyanate
Chemidplus:0003012371
RTECS:XK8155000 for cas# 3012-37-1
 
References:
 benzyl thiocyanate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):18170
Pubchem (cas):3012-37-1
 
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
KEGG (GenomeNet):C02660
HMDB (The Human Metabolome Database):HMDB34273
FooDB:FDB012606
Export Tariff Code:2930.90.2900
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
 cress garden cress
Search Trop Picture
 cress garden cress oil
Search Trop Picture
 
Synonyms:
 solvat 14
alpha-thiocyanatotoluene
 thiocyanic acid, benzyl ester
 toluene, alpha-thiocyanato-
 tropeolin
 

Articles:

PubMed:Diversified glucosinolate metabolism: biosynthesis of hydrogen cyanide and of the hydroxynitrile glucoside alliarinoside in relation to sinigrin metabolism in Alliaria petiolata.
PubMed:Kinetic and mechanistic aspects of atom transfer radical addition (ATRA) catalyzed by copper complexes with tris(2-pyridylmethyl)amine.
PubMed:Palladium-catalyzed, copper(I)-mediated coupling of boronic acids and benzylthiocyanate. A cyanide-free cyanation of boronic acids.
PubMed:Phenethyl isothiocyanate triggers apoptosis in Jurkat cells made resistant by the overexpression of Bcl-2.
PubMed:Regioselective bond cleavage in the dissociative electron transfer to benzyl thiocyanates: the role of radical/ion pair formation.
PubMed:Cancer chemoprevention by garlic and garlic-containing sulfur and selenium compounds.
PubMed:Regioselective bond cleavage in the dissociative electron transfer to benzyl thiocyanates.
PubMed:Involvement of toxicity as an early event in urinary bladder carcinogenesis induced by phenethyl isothiocyanate, benzyl isothiocyanate, and analogues in F344 rats.
PubMed:Major proteins related to chlortetracycline biosynthesis in a Streptomyces aureofaciens production strain studied by quantitative proteomics.
PubMed:Benzyl isothiocyanate is the chief or sole anthelmintic in papaya seed extracts.
PubMed:Inhibition of DNA cytosine methyltransferase by chemopreventive selenium compounds, determined by an improved assay for DNA cytosine methyltransferase and DNA cytosine methylation.
PubMed:Inhibition of 2-nitropropane-induced rat liver DNA and RNA damage by benzyl selenocyanate.
PubMed:Protein profiles of Streptomyces aureofaciens producing tetracyclines: reappraisal of the effect of benzyl thiocyanate.
PubMed:Selective toxicity of compounds naturally present in food toward the transformed phenotype of human colorectal cell line HT29.
PubMed:Biotransformation of benzyl thiocyanate by Streptomyces aureofaciens.
PubMed:Inhibitory effects of benzyl thiocyanate and benzyl isothiocyanate on methylazoxymethanol acetate-induced intestinal carcinogenesis in rats.
PubMed:Inhibitory effects of benzyl isothiocyanate and benzyl thiocyanate on diethylnitrosamine-induced hepatocarcinogenesis in rats.
PubMed:Modifying effects of benzyl isothiocyanate and benzyl thiocyanate on DNA synthesis in primary cultures of rat hepatocytes.
PubMed:[Obstructive cholangiopathy and isothiocyanate].
PubMed:Effect of dietary benzylselenocyanate on azoxymethane-induced colon carcinogenesis in male F344 rats.
PubMed:Chemoprevention of experimental mammary carcinogenesis by the synthetic organoselenium compound, benzylselenocyanate, in rats.
PubMed:Chemoprevention of colon carcinogenesis by dietary organoselenium, benzylselenocyanate, in F344 rats.
PubMed:Effect of some benzyl thiocyanate analogs on tetracycline production.
PubMed:Subcellular localization of enzymes in Streptomyces aureofaciens and its alteration by benzyl thiocyanate. II. Anhydrotetracycline oxygenase and glucose-6-phosphate dehydrogenase.
PubMed:Subcellular localization of enzymes in Streptomyces aureofaciens and its alteration by benzyl thiocyanate. I. Phosphatases and ATP-glucokinase.
PubMed:2,4-Dichlorobenzyl thiocyanate, an antimitotic agent that alters microtubule morphology.
PubMed:Effects of dietary compounds on alpha-hydroxylation of N-nitrosopyrrolidine and N'-nitrosonornicotine in rat target tissues.
PubMed:Effect of inorganic phosphate and benzyl thiocyanate on the activity of anhydrotetracyline oxygenase in Streptomyces aureofaciens.
PubMed:Benzyl thiocyanate taint in the milk of dairy cattle ingesting Coronopus didymus Sm.
PubMed:RELATIONSHIP BETWEEN THE CARBOHYDRATE METABOLISM OF STREPTOMYCES AUREOFACIENS AND THE BIOSYNTHESIS OF CHYLORTETRACYCLINE.. III. THE EFFECT OF BENZYL THIOCYANATE ON CARBOHYDRATE METABOLISM OF STREPTOMYCES AUREOFACIENS.
PubMed:RELATIONSHIP BETWEEN THE CARBOHYDRATE METABOLISM OF STREPTOMYCES AUREOFACIENS AND THE BIOSYNTHESIS OF CHLORTETRACYCLINE. II. THE EFFECT OF BENZYL THIOCYANATE ON THE RESPIRATION OF WASHED MYCELIUM OF STREPTOMYCES AUREOFACIENS.
PubMed:RELATIONSHIP BETWEEN THE CARBOHYDRATE METABOLISM OF STREPTOMYCES AUREOFACIENS AND THE BIOSYNTHESIS OF CHLORTETRACYCLINE. I. THE EFFECT OF INTERRUPTED AERATION, INORGANIC PHOSPHATE AND BENZYL THIOCYANATE ON CHLORTETRACYCLINE BIOSYNTHESIS.
PubMed:[Studies on ovocides against Ascaris eggs. 1. Maturation of eggs in different portions of Ascaris matrix and their resistance against benzylthiocyanate].
PubMed:[The influence of benzyl thiocyanate on the synthesis of chlortetracycline after direct enrichment by ground barley].
PubMed:Stimulation of chlortetracycline production by benzyl thiocyanate.
PubMed:[Effect of various compounds related to naphthyl isothiocyanate on the guinea pig liver. IV. Benzyl thiocyanate].
 
Notes:
Isol. from Lepidium sativum (garden cress) as a benzyl glucosinolate (see Benzyl glucosinolate LBB34-N) degradation prod.
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