Phenethyl isothiocyanate
- CAS No.
- 2257-09-2
- Chemical Name:
- Phenethyl isothiocyanate
- Synonyms
- (?)-Equol;AKOS B016323;1-(2-ISOTHIOCY;Phenylaethylsenfoel;7-Dihydroxyisoflavan;phenylethylmustardoil;Phenethyl mustard oil;Phenylethyl mustard oil;PHENETHYL ISOTHIOCYANATE;2-PHENETHYL ISOTHIOCYANATE
- CBNumber:
- CB2736659
- Molecular Formula:
- C9H9NS
- Molecular Weight:
- 163.24
- MOL File:
- 2257-09-2.mol
- MSDS File:
- SDS
- Modify Date:
- 2023/6/2 14:42:00
| Melting point | 143～145℃ |
|---|---|
| Boiling point | 75 °C0.25 mm Hg |
| Density | 1.094 g/mL at 25 °C(lit.) |
| refractive index |
n |
| FEMA | 4014 | PHENETHYL ISOTHIOCYANATE |
| Flash point | >230 °F |
| storage temp. | 2-8°C |
| solubility | DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml |
| form | Liquid |
| Specific Gravity | 1.09 |
| color | Clear colorless to yellow |
| Odor | at 0.01 % in propylene glycol. green horseradish gooseberry watercress |
| Odor Type | sulfurous |
| Water Solubility | insoluble |
| Sensitive | Moisture Sensitive |
| JECFA Number | 1563 |
| Merck | 14,7226 |
| BRN | 2084162 |
| InChIKey | IZJDOKYDEWTZSO-UHFFFAOYSA-N |
| LogP | 3.47 |
| CAS DataBase Reference | 2257-09-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, (2-isothiocyanatoethyl)-(2257-09-2) |
| EPA Substance Registry System | Benzene, (2-isothiocyanatoethyl)- (2257-09-2) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS07,GHS08 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H302+H312+H332-H315-H317-H319-H334-H335 | |||||||||
| Precautionary statements | P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 20/21/22-36/37/38-42-42/43 | |||||||||
| Safety Statements | 23-26-36-36/37 | |||||||||
| RIDADR | UN 2206 6.1/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | NX9115000 | |||||||||
| F | 10-23 | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | 8 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29309090 | |||||||||
| Toxicity | LD50 in mice (mg/kg): 700 orally; 150 s.c.; 50 i.v. (Lichtenstein) | |||||||||
| NFPA 704 |
|
Phenethyl isothiocyanate price More Price(7)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | W401404 | 2-Phenylethyl isothiocyanate FG | 2257-09-2 | 1SAMPLE-K | ₹5141.88 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W401404 | 2-Phenylethyl isothiocyanate FG | 2257-09-2 | 25G | ₹12145.65 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W401404 | 2-Phenylethyl isothiocyanate FG | 2257-09-2 | 100G | ₹15598.83 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W401404 | 2-Phenylethyl isothiocyanate FG | 2257-09-2 | 1KG | ₹124747.3 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 68488 | Phenethyl isothiocyanate analytical standard | 2257-09-2 | 250MG | ₹8865.68 | 2022-06-14 | Buy |
Phenethyl isothiocyanate Chemical Properties,Uses,Production
Description
Phenethyl isothiocyanate is a naturally occurring isothiocyanate in cruciferous vegetables. Phenethyl isothiocyanate is a chemopreventive agent. It inhibits cancer cell growth by arresting the cell cycle and inducing apoptosis in various human cancer cell models.
Chemical Properties
Phenethyl isothiocyanate has a strong green irritating odor.
Uses
Flavor ingredient; provides the hot or burning sensation in horseradish.
Phenethyl isothiocyanate (PEITC)，one of the major compounds from dietary cruciferousvegetables，has been found to have antitumor properties and therefore could generate special interest for the development of chemopreventive andor chemotherapeutic agent for human cancers.
Preparation
Prepared by hydrolysis of gluconasturtiin, an abundant natural product present in cruciferous vegetables.
Definition
ChEBI: An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties.
General Description
Phenethyl isothiocyanate, an organic isothiocyanate, is a cruciferous vegetable ingredient present as a glucosinolate in cabbage, turnips, radishes, etc. It is a well-known chemopreventive agent reported to be effective against cancers affecting the lung, breast, pancreas, prostate and so on.
Pharmacokinetics
Phenethyl isothiocyanate (PEITC) is one of the most extensively studied members of the isothiocyanate family, found in cruciferous vegetables, such as watercress. It is responsible for anti-cancer activities. In addition, it has shown to inhibit migration and invasion of many types of human cancer cells. PEITC selectively kills cancer cells, but not normal cells. It generates reactive oxygen species (ROS) to trigger signal transduction, leading to cell cycle arrest, autophagy, and/or apoptosis. However, the molecular mechanisms by which PEITC acts as a growth inhibitor and autophagy and/or apoptosis inducer in cancer cells have not been fully investigated.
PEITC also is able to activate ERK and JNK signal transduction, which in turn induces expression of stress-responsive genes. Specifically, this agent has been shown to reactivate gene expression of a detoxification enzyme, glutathione S-transferase that is silenced in prostate carcinoma.
Phenethyl Isothiocyanate has been used in trials studying the prevention and treatment of Leukemia, Lung Cancer, Tobacco Use Disorder, and Lymphoproliferative Disorders.
Anticancer Research
PEITC is a naturally occurring isothiocyanate, found mostly in cruciferous vegetablesincluding cauliflower, watercress, cabbage, Brussels sprouts, garden cress, broccoli,and bok choy. It shows chemopreventive and anticancer activity againstmelanoma, breast cancer, myeloma, human liver hepatoma, non-small cell lung cancer,cervical cancer, prostate cancer, and osteogenic sarcoma. It induces apoptosis in some drug resistance cell lines. Its mechanism of action is much diversified in variouscancer cells. It induces apoptosis in highly metastatic human non-small cell lungcancer, L9981 cells via caspase-3 activation, and cell cycle arrest in G2/M phase bymodulation of cyclin B1 expression while targeting MAPK/AP-1 pathway. In cervicalcancer cells, it increases the death receptor (DR4, DR5) expression, cleaves caspase-3, induces caspase-8, truncates BID, and downregulates ERK1/2 and MEKphosphorylation while maintaining the expression of JNK and phospho-p38MAPK. In human prostate cancer (DU 145) cell line, PEITC induces apoptosis byactivating caspase cascade pathway (Wang et al. 2012; Cheung and Kong 2010).
Phenethyl isothiocyanate Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6913 | 58 | Inquiry |
| career henan chemical co | +86-0371-86658258 +8613203830695 | China | 29900 | 58 | Inquiry |
| Xiamen AmoyChem Co., Ltd | +86-592-6051114 +8618959220845 | China | 6387 | 58 | Inquiry |
| Chongqing Chemdad Co., Ltd | +86-023-6139-8061 +86-86-13650506873 | China | 39916 | 58 | Inquiry |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | China | 49391 | 58 | Inquiry |
| career henan chemical co | +86-0371-86658258 +8613203830695 | China | 29826 | 58 | Inquiry |
| Zhengzhou Alfa Chemical Co.,Ltd | +8618530059196 | China | 12962 | 58 | Inquiry |
| SIMAGCHEM CORP | +86-13806087780 | China | 17367 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| A.J Chemicals | 58 |
| TCI Chemicals (India) Pvt. Ltd. | 58 |
| Alfa Aesar | 58 |
| career henan chemical co | 58 |
| Xiamen AmoyChem Co., Ltd | 58 |
| Chongqing Chemdad Co., Ltd | 58 |
| CONIER CHEM AND PHARMA LIMITED | 58 |
| career henan chemical co | 58 |
| Zhengzhou Alfa Chemical Co.,Ltd | 58 |
| SIMAGCHEM CORP | 58 |
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