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BENZYL ISOTHIOCYANATE

CAS No.622-78-6
Chemical Name:BENZYL ISOTHIOCYANATE
CBNumber:CB4767442
Molecular Formula:C8H7NS
Formula Weight:149.21
MOL File:622-78-6.mol

BENZYL ISOTHIOCYANATE Property

Melting point 41 °C
Boiling point 242-243 °C(lit.)
Density 1.125 g/mL at 25 °C(lit.)
FEMA 4428 | BENZYL ISOTHIOCYANATE
refractive index n20/D 1.6018(lit.)
Flash point >235 °F
storage temp. 2-8°C
solubility 0.1g/l
form Liquid
Specific Gravity 1.125
color Clear yellow
Odor at 0.10 % in dipropylene glycol. mild watercress dusty medicinal horseradish oily
Odor Type watercress
biological source synthetic
Water Solubility Hydrolyzes in water.
Sensitive Moisture Sensitive
JECFA Number 1562
BRN 386135
InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N
LogP 3.16
CAS DataBase Reference 622-78-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) BENZYL ISOTHIOCYANATE
FDA UNII 871J6YOR8Q
EPA Substance Registry System Benzene, (isothiocyanatomethyl)- (622-78-6)
UNSPSC Code 85151701
NACRES NA.24

Safety

Hazard Codes :Xn,C,T
Risk Statements :20/21/22-36/37/38-42/43
Safety Statements :26-36/37/39
RIDADR :2810
WGK Germany :3
RTECS :NX8250000
F :8-19-21
Hazard Note :Corrosive/Harmful/Store under nitrogen
TSCA :T
HazardClass :8
PackingGroup :III
HS Code :29309090
Toxicity :mmo-sat 150 mg/plate ABCHA6 44,3017,80

NFPA 704:

	1
3		1

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H302-H315-H317-H319-H334-H335
Precautionary statements P261-P264-P280-P301+P312-P302+P352-P305+P351+P338

BENZYL ISOTHIOCYANATE Price More Price(8)

Brand: Sigma-Aldrich(India)
Product number: 252492
Product name : Benzyl isothiocyanate
Purity: 98%
Packaging: 5G
Price: ₹1948.5
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 89983
Product name : Benzyl isothiocyanate
Purity: analytical standard
Packaging: 500MG
Price: ₹7231.1
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 252492
Product name : Benzyl isothiocyanate
Purity: 98%
Packaging: 25G
Price: ₹8075.45
Updated: 2022/06/14
Buy: Buy

Brand: ALFA India
Product number: ALF-A15008-22
Product name : Benzyl isothiocyanate, 98%
Purity:
Packaging: 100g
Price: ₹16855
Updated: 2022/05/26
Buy: Buy

Brand: ALFA India
Product number: ALF-A15008-14
Product name : Benzyl isothiocyanate, 98%
Purity:
Packaging: 25g
Price: ₹7510
Updated: 2022/05/26
Buy: Buy

BENZYL ISOTHIOCYANATE Chemical Properties,Usage,Production

Chemical Properties Pale yellowish liquid; strong, penetrating aroma.
Chemical Properties clear yellow liquid
Occurrence Reported found in common cress, Lepidium sativum, nasturtium, and Tropaeolum majus.
Uses Benzyl isothiocyanate has been used in the preparation of S-(N-benzylthiocarbamoyl)-L-glutathione and S-(N-benzylthiocarbamoyl)-L-cysteine.
Uses antineoplastic, antibacterial, antifungal
Uses A novel medical application of isothiocyanate ester in treating various leukemia, with low toxicity, which includes benzyl isothiocyanate, phenylethyl isothiocyanate, allyl isothiocyanate, sulforaphane, and erucin. Benzyl isothiocyanate (BITC) inhibits the growth of human pancreatic cancer cells by inducing apoptosis.
Preparation Benzyl isothiocyanate is synthesized by the following two methods: I) from Benzylamine via Thiuramdisulfide via Sodiumsalt with Iodine to Benzyl-isothiocyanate. 2) from Benzylamine and Thiocarbonyl chloride.
Definition ChEBI: Benzyl isothiocyanate is an isothiocyanate and a member of benzenes. It has a role as an antibacterial drug.
Aroma threshold values Medium strength odor, watercress type; recommend smelling in a 1.0% solution or less.
Synthesis Reference(s) Tetrahedron Letters, 33, p. 7021, 1992 DOI: 10.1016/S0040-4039(00)60922-X
General Description Benzyl isothiocyanate is a naturally-occurring constituent of cruciferous vegetables. It has antibacterial properties and its metabolism in man has been investigated. It inhibits chemically induced cancer in animal models.
Hazard Very irritant to tissues.
Biochem/physiol Actions Odor at 1.0%: Vegetative cabbage and radishlike, green with a musty sulfurous earthiness reminiscent of mustard greens.Taste at 0.5ppm: Green vegetative cabbage, kimchi, radish and wasabi-like with green leafy nuances and imparting a strong trigeminal tongue numbing and raspy sensation.
Safety Profile Poison by intraperitoneal andsubcutaneous routes. Intensely irritating. Mutation datareported. Moderate fire hazard via heat, flame, andoxidizers. To fight fire, use water, spray, foam, drychemical. When heated to decomposition it emits verytoxic NOx
Solubility in organics Soluble in alcohol and oils.