ChemicalBook >> CAS DataBase List >>Phenethyl isothiocyanate

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
MDL Number:
MFCD00004821
MOL File:
2257-09-2.mol
MSDS File:
SDS
Last updated:2023-06-02 14:42:00

Phenethyl isothiocyanate Properties

Melting point 143~145℃
Boiling point 75 °C0.25 mm Hg
Density 1.094 g/mL at 25 °C(lit.)
refractive index n20/D 1.5888(lit.)
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)
Substances Added to Food (formerly EAFUS) PHENETHYL ISOTHIOCYANATE
EWG's Food Scores 1
NCI Dictionary of Cancer Terms phenethyl isothiocyanate
FDA UNII 6U7TFK75KV
NCI Drug Dictionary phenethyl isothiocyanate
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)  GHS hazard pictogramsGHS hazard pictograms
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
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
1
2 1

Phenethyl isothiocyanate price More Price(22)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich W401404 2-Phenylethyl isothiocyanate FG 2257-09-2 25g $115 2024-03-01 Buy
Sigma-Aldrich W401404 2-Phenylethyl isothiocyanate FG 2257-09-2 100g $169 2024-03-01 Buy
Sigma-Aldrich W401404 2-Phenylethyl isothiocyanate FG 2257-09-2 1kg $1340 2024-03-01 Buy
Sigma-Aldrich 253731 Phenethyl isothiocyanate 99% 2257-09-2 5g $58.7 2024-03-01 Buy
Sigma-Aldrich 68488 Phenethyl isothiocyanate analytical standard 2257-09-2 250mg $86.2 2022-05-15 Buy
Product number Packaging Price Buy
W401404 25g $115 Buy
W401404 100g $169 Buy
W401404 1kg $1340 Buy
253731 5g $58.7 Buy
68488 250mg $86.2 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

Light Yellow Liquid

Chemical Properties

Phenethyl isothiocyanate has a strong green irritating odor.

Uses

Phenethyl isothiocyanate is an NNK-induced lung tumorigenesis inhibitor.

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).

75-15-0
64-04-0
2257-09-2
Synthesis of Phenethyl isothiocyanate from Carbon disulfide and 2-PhenylethylaMine

Phenethyl isothiocyanate Preparation Products And Raw materials

Global( 201)Suppliers
Supplier Tel Email Country ProdList Advantage
career henan chemical co
+86-0371-86658258 sales@coreychem.com China 29919 58
Hubei Jusheng Technology Co.,Ltd.
18871490254 linda@hubeijusheng.com CHINA 28180 58
Xiamen AmoyChem Co., Ltd
+86-592-6051114 +8618959220845 sales@amoychem.com China 6387 58
Shandong chuangyingchemical Co., Ltd.
18853181302 sale@chuangyingchem.com CHINA 5909 58
Chongqing Chemdad Co., Ltd
+86-023-61398051 +8613650506873 sales@chemdad.com China 39916 58
CONIER CHEM AND PHARMA LIMITED
+8618523575427 sales@conier.com China 47464 58
career henan chemical co
+86-0371-86658258 15093356674; factory@coreychem.com China 29827 58
Zhengzhou Alfa Chemical Co.,Ltd
+8618530059196 sale04@alfachem.cn China 12337 58
SIMAGCHEM CORP
+86-13806087780 sale@simagchem.com China 17368 58
TargetMol Chemicals Inc.
+1-781-999-5354 +1-00000000000 marketing@targetmol.com United States 19892 58

View Lastest Price from Phenethyl isothiocyanate manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Phenethyl isothiocyanate pictures 2023-06-03 Phenethyl isothiocyanate
2257-09-2
US $0.00-0.00 / kg 1kg 99% 500000kg Hebei Yibangte Import and Export Co. , Ltd.
Phenethyl isothiocyanate pictures 2022-09-30 Phenethyl isothiocyanate
2257-09-2
US $10.00 / KG 1KG 99% 5tons Hebei Guanlang Biotechnology Co., Ltd.
2-isothiocyanatobenzonitrile pictures 2020-03-08 2-isothiocyanatobenzonitrile
2257-09-2
US $10.00-100.00 / KG 1KG Min98% HPLC g/kg/ton Career Henan Chemical Co
2-Phenylethyl isothiocyanate, Phenethyl isothiocyanate β-Phenylethyl isothiocyanate, Phenethyl isothiocyanate Isothiocyanic acid phenethyl PHENETHYL GLUCOSINOLATE POTASSIUM SALT(GLUCONASTURTIIN)(RG) Isothiocyanic Acid 2-Phenylethyl Ester Phenethyl Isothiocyanate PHENYLETHYL ISOTHIOCYANATE(P)(REQUEST QUOTE) Phenethyl isothiocyanate 99% 2-Phenylethyl Isothiocyanate, 97.0%(GC) Phenylethyl isothiocyanate,96% ISOTHIOCYANIC ACID BETA-PHENYLETHYL ESTER BETA-PHENETHYL ISOTHIOCYANATE B-PHENYLETHYL ISOTHIOCYANATE 2-PHENYLETHYL ISOTHIOCYANATE 2-ISOTHIOCYANATOETHYLBENZENE 2-PHENETHYL ISOTHIOCYANATE 1-(2-ISOTHIOCYANATOETHYL)BENZENE phenylethylmustardoil 2-PHENETHYL ISOTHIOCYANATE 99+% isothiocyanic acid 2-phenylethyl ester PHENYLETHYLISOTHIOCYANATES (2-isothiocyanatoethyl)-benzen AKOS B016323 PHENETHYL ISOTHIOCYANATE PHENYLETHYL ISOTHIOCYANATE Benzene, (2-isothiocyanatoethyl)- beta-Phenylethyl isothiocyanate beta-phenylethylisothiocyanate Isothiocyanic acid, phenethyl ester isothiocyanicacid,phenethylester Phenethyl mustard oil Phenylaethylsenfoel Phenylethyl mustard oil b-Phenethyl isothiocyate, 99% 2-PhenylethylIsothiocyanate> 2-Phenylethyl Isothiocyanate,>98% (?)-Equol 7-Dihydroxyisoflavan 1-(2-ISOTHIOCY 2257-09-2 9/2/2257 2257-09-02 2257-9-2 C6H5CH2CH2NCS C9H9NS Organic Building Blocks Chemopreventive Agents Cancer Research Sulfur Compounds Thiocyanates/Isothiocyanates Anti-proliferative Agents Building Blocks BioChemical Aromatics Compounds Aromatics Sulfur & Selenium Compounds