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phenethyl isothiocyanate

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Origin: China

Cas No: 2257-09-2

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 80 mt/month

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Product Description

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CAS No.: 2257-09-2 Formula: C9H9NS Molecular Weight: 163.23900

Description

Phenethyl isothiocyanate (PEITC) is a naturally occurring isothiocyanate that is found in some[which?] cruciferous vegetables.
PEITC has been studied for its potential for chemoprevention of cancers, such as prostate cancer.
In terms of biosynthesis, PEITC is produced from gluconasturtiin by the action of the enzyme myrosinase.

Basic Info

Chemical Name	phenethyl isothiocyanate
Synonyms	PhCH2CH2NCS; Phenylethyl isothiocyanate; 2-Phenylethyl Isothiocyanate; Phenethyl isothiocyanate; PEITC; Isothiocyanic Acid 2-Phenylethyl Ester; Phenylaethylsenfoel; Phenethyl mustard oil; 2-phenylethyl-ITC; 2-isothiocyanatoethylbenzene;
CAS No.	2257-09-2
Molecular Formula	C9H9NS
Molecular Weight	163.23900
PSA	44.45000
LogP	2.33190

Properties

Appearance & Physical State	Colourless to pale yellow liquid
Density	1.094
Boiling Point	113ºC (1 mmHg)
Flash Point	100ºC
Refractive Index	1.586-1.591
Water Solubility	insoluble
Storage Condition	Refrigerator, Under Inert Atmosphere
Vapor Pressure	0.0427mmHg at 25°C

Safety Info

RTECS	NX9115000
Hazard Class	8
Safety Statements	S36/37
HS Code	2930909090
Packing Group	III
WGK Germany	3
RIDADR	UN 2206
Risk Statements	R20/21/22
Hazard Codes	Xn
Caution Statement	P261; P280; P305 + P351 + P338; P342 + P311
Signal Word	Danger
Hazard Declaration	H302 + H312 + H332; H315; H317; H319; H334; H335
Symbol	GHS07, GHS08

Synthesis Route

phenethyl isothiocyanate cysteine conjugate→L-Cysteine+phenethyl isothiocyanate
carbon disulfide+2-phenylethylamine→phenethyl isothiocyanate
Triethylammonium-(2-phenylethyl)dithiocarbamat→phenethyl isothiocyanate

GC Analysis

Column type	Active phase	Temperature (°C)	Retention Index (I)	Temperature Control Method
Capillary	HP-5MS	-	1465.	temperature ramp
Capillary	HP-5MS	-	1472.1	custom temperature program
Capillary	DB-Wax	-	2234.	temperature ramp
Capillary	DB-Wax	-	2234.	temperature ramp
Capillary	HP-1	-	1425.	temperature ramp