| Identification | More | [Name]
BENZYL ISOTHIOCYANATE | [CAS]
622-78-6 | [Synonyms]
1-(ISOTHIOCYANATOMETHYL)BENZENE
AKOS BBS-00004442
BENZYL ISOTHIOCYANATE
ISOTHIOCYANIC ACID BENZYL ESTER
TIMTEC-BB SBB002731
(isothiocyanatomethyl)-benzen
(Isothiocyanatomethyl)benzene
AB 2
benzene,(isothiocyanatomethyl)-
Benzyl mustard oil
benzylmustardoil
Benzylsenfoel
isothiocyanatomethyl-Benzene
Toluene, alpha-isothiocyanato-
Tromacaps
Tromalyt
Urogran
Benzyl isothiocyanate, 97+%
benzyl isorhodanate
benzyl isorhodanide | [EINECS(EC#)]
210-753-9 | [Molecular Formula]
C8H7NS | [MDL Number]
MFCD00004819 | [Molecular Weight]
149.21 | [MOL File]
622-78-6.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow liquid | [Melting point ]
41 °C | [Boiling point ]
242-243 °C(lit.) | [density ]
1.125 g/mL at 25 °C(lit.)
| [FEMA ]
4428 | [refractive index ]
n20/D 1.6018(lit.)
| [Fp ]
>235 °F
| [storage temp. ]
2-8°C
| [solubility ]
0.1g/l | [form ]
Liquid | [color ]
Clear yellow | [Specific Gravity]
1.125 | [Odor]
at 0.10 % in dipropylene glycol. mild watercress dusty medicinal horseradish oily | [biological source]
synthetic | [Odor Type]
watercress | [Water Solubility ]
Hydrolyzes in water. | [Sensitive ]
Moisture Sensitive | [JECFA Number]
1562 | [BRN ]
386135 | [Major Application]
flavors and fragrances | [InChI]
1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 | [InChIKey]
MDKCFLQDBWCQCV-UHFFFAOYSA-N | [SMILES]
S=C=NCc1ccccc1 | [LogP]
3.16 | [CAS DataBase Reference]
622-78-6(CAS DataBase Reference) | [EPA Substance Registry System]
Benzene, (isothiocyanatomethyl)- (622-78-6) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS07,GHS08 | [Signal word ]
Danger | [Hazard statements ]
H302-H315-H317-H319-H334-H335 | [Precautionary statements ]
P261-P264-P280-P301+P312-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xn,C,T | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R42/43:May cause sensitization by inhalation and skin contact . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [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 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 | [Toxicity]
mmo-sat 150 mg/plate ABCHA6 44,3017,80 |
| Hazard Information | Back Directory | [Hazard]
Very irritant to tissues. | [Chemical Properties]
clear yellow liquid | [Chemical Properties]
Pale yellowish liquid; strong, penetrating aroma. | [Occurrence]
Reported found in common cress, Lepidium sativum, nasturtium, and Tropaeolum majus. | [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. | [Uses]
antineoplastic, antibacterial, antifungal | [Uses]
Benzyl isothiocyanate has been used in the preparation of S-(N-benzylthiocarbamoyl)-L-glutathione and S-(N-benzylthiocarbamoyl)-L-cysteine. | [Definition]
ChEBI: Benzyl isothiocyanate is an isothiocyanate and a member of benzenes. It has a role as an antibacterial drug. | [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. | [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. | [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. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|