benzyl thiocyanate

alpha-thiocyanatotoluene

CAS: 3012-37-1 C8 H7 N S MW: 149.21579000

Identification

Namebenzyl thiocyanate
CAS Number3012-37-1
EINECS221-144-2
FDA UNIIYX8TAO9O90
Molecular FormulaC8 H7 N S
Molecular Weight149.21579000
MDL NumberMFCD00001832
Nikkaji NumberJ7.663E
Beilstein1859726
XlogP32.00 (est)

Regulatory

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)

No sensory data available

Safety Information

Preferred SDSView
Oral/Parenteral Toxicityintraperitoneal-mouse LD50 17 mg/kg
Dermal Toxicitysubcutaneous-mouse LD50 100 mg/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categorynatural substances and extractives
Recommendation for benzyl thiocyanate usage levels up tonot for fragrance use.
Recommendation for benzyl thiocyanate flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

cress garden cress cress garden cress oil

Synonyms

solvat 14 alpha- thiocyanatotoluene thiocyanic acid, benzyl ester toluene, alpha-thiocyanato- tropeolin 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].