BENZYL ISOTHIOCYANATE
- CAS No.
- 622-78-6
- Chemical Name:
- BENZYL ISOTHIOCYANATE
- Synonyms
- BITC;(Isothiocyanatomethyl)benzene;Urogran;1-(ISOTHIOCYANATOMETHYL)BENZENE;AB 2;Tromalyt;Tromacaps;NSC 118976;Benzylsenfoel;benzylmustardoil
- CBNumber:
- CB4767442
- Molecular Formula:
- C8H7NS
- Molecular Weight:
- 149.21
- MDL Number:
- MFCD00004819
- MOL File:
- 622-78-6.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Product description | Number | Pack Size | Price |
| Benzyl isothiocyanate 98% | 252492 | 5g | $53.7 |
| Benzyl isothiocyanate 98% | 252492 | 25g | $107 |
| Benzyl Isothiocyanate >98.0%(GC) | I0224 | 5g | $47 |
| Benzyl Isothiocyanate >98.0%(GC) | I0224 | 25g | $124 |
| Benzyl isothiocyanate Asreported | 261565 | 5g | $347 |
| More product size | |||
| 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 |
n |
| FLAVIS Number | 12.102 | Benzyl isothiocyanate |
| 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 |
| 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) |
| 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
Risk and Safety Statements
| 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 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| 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 | TSCA listed | |||||||||
| 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 | |||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704 |
|
BENZYL ISOTHIOCYANATE price More Price(75)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 252492 | Benzyl isothiocyanate 98% | 622-78-6 | 5g | $53.7 | 2026-04-30 | Buy |
| Sigma-Aldrich | 252492 | Benzyl isothiocyanate 98% | 622-78-6 | 25g | $107 | 2026-04-30 | Buy |
| TCI Chemical | I0224 | Benzyl Isothiocyanate >98.0%(GC) | 622-78-6 | 5g | $47 | 2026-04-30 | Buy |
| TCI Chemical | I0224 | Benzyl Isothiocyanate >98.0%(GC) | 622-78-6 | 25g | $124 | 2026-04-30 | Buy |
| Usbiological | 261565 | Benzyl isothiocyanate Asreported | 622-78-6 | 5g | $347 | 2026-06-03 | Buy |
BENZYL ISOTHIOCYANATE Chemical Properties,Uses,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.
BENZYL ISOTHIOCYANATE Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shaanxi Dideu Medichem Co. Ltd | +86-29-87569262 +86-15003564040 | 1056@dideu.com | China | 3970 | 58 |
| Hebei Chuanghai Biotechnology Co,.LTD | +86-86-13131129325 +8613131129325 | sales1@chuanghaibio.com | China | 5228 | 58 |
| JINING XINHE CHEMICAL CO., LTD | +8615318402391 | sales@xinhepharma.com | China | 809 | 58 |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718 +86-13336195806 | sales@capot.com | China | 29640 | 60 |
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | ivan@atkchemical.com | China | 33024 | 60 |
| Shanghai Zheyan Biotech Co., Ltd. | 18017610038 | zheyansh@163.com | CHINA | 3619 | 58 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29815 | 58 |
| Changzhou Ditong Chemical Co.,Ltd | +86-0519-88298848 | info@edengenechem.com | China | 2165 | 58 |
| Shandong chuangyingchemical Co., Ltd. | 18853181302 | sale@chuangyingchem.com | CHINA | 5906 | 58 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49979 | 58 |
View Lastest Price from BENZYL ISOTHIOCYANATE manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-06-07 | Benzyl isothiocyanate
622-78-6
|
0.99 | RongNa Biotechnology Co.,Ltd | ||||
 |
2026-05-28 | BENZYL ISOTHIOCYANATE
622-78-6
|
$2.00-5.00 | 1KG | 99% | 10000kg | Hebei Chuanghai Biotechnology Co,.LTD | |
 |
2026-05-11 | Benzyl isothiocyanate
622-78-6
|
$42.00 | 99.83% | 10g | TargetMol Chemicals Inc. |
-
- Benzyl isothiocyanate
622-78-6
- 0.99
- RongNa Biotechnology Co.,Ltd
-
- BENZYL ISOTHIOCYANATE
622-78-6
- $2.00-5.00
- 99%
- Hebei Chuanghai Biotechnology Co,.LTD
-
- Benzyl isothiocyanate
622-78-6
- $42.00
- 99.83%
- TargetMol Chemicals Inc.
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