Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Phenylethyl isothiocyanate
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2257-09-2

2257-09-2 structure

Name: Phenylethyl isothiocyanate
Chemical Name: phenethyl isothiocyanate
CAS Number: 2257-09-2
Molecular Formula: C₉H₉NS
Molecular Weight: 163.23900
Catalog: Chemical reagent Organic reagent Cyanate ester / isocyanate
Create Date: 2018-02-08 08:00:00
Modify Date: 2026-07-02 22:12:55
2-Phenylethyl isothiocyanate is a potent antifungal agent. 2-Phenylethyl isothiocyanate significantly inhibited spore germination and mycelial growth of Alternaria alternata, with a MIC (minimum inhibitory concentration) of 1.22 mM. The antifungal effect of 2-Phenylethyl isothiocyanate against Alternaria alternata might be via reduction in toxin content and breakdown of cell membrane integrity[1][2].

Name	phenethyl isothiocyanate
Synonyms	PHENETHYL ISOTHIOCYANATE B-PHENYLETHYL ISOTHIOCYANATE 2-Phenylethyl Isothiocyanate PHENYLETHYL ISOTHIOCYANATE(P)(REQUEST QUOTE) isothiocyanicacid,phenethylester Phenethyl mustd oil Isothiocyanic Acid 2-Phenylethyl Ester PHENYLETHYL ISOTHIOCYANATE Isothiocyanic acid, phenethyl ester ISOTHIOCYANIC ACID BETA-PHENYLETHYL ESTER isothiocyanic acid 2-phenylethyl ester Phenylethyl mustd oil 1-(2-ISOTHIOCYANATOETHYL)BENZENE EINECS 218-855-5 7-Dihydroxyisoflavan PHENYLETHYLISOTHIOCYANATES Phenethyl mustard oil MFCD00004821 1-(2-ISOTHIOCY 2-phenylethyl-ITC 2-isothiocyanatoethylbenzene 2-ISOTHIOCYANATOETHYLBENZENE PhCH2CH2NCS 2-PHENYLETHYL ISOTHIOCYANATE beta-phenylethylisothiocyanate Isothiocyanic acid phenethyl PEITC Phenylaethylsenfoel Isothiocyanic Acid 2-Phenylethyl Ester Phenethyl Isothiocyanate Phenylethyl isothiocyanate, 10 mM in DMSO beta-Phenylethyl isothiocyanate 2-Phenylethyl isothiocyanate, Phenethyl isothiocyanate ()-Equol Benzene, (2-isothiocyanatoethyl) β-Phenylethyl isothiocyanate, Phenethyl isothiocyanate Phenethyl Isothiocyanate PHENETHYL GLUCOSINOLATE POTASSIUM SALT(GLUCONASTURTIIN)(RG) phenylethylmustdoil b-Phenethyl isothiocyate (2-isothiocyanatoethyl)-benzen 2-PHENETHYL ISOTHIOCYANATE BETA-PHENETHYL ISOTHIOCYANATE 2-PhenylethylIsothiocyanate>

Description	2-Phenylethyl isothiocyanate is a potent antifungal agent. 2-Phenylethyl isothiocyanate significantly inhibited spore germination and mycelial growth of Alternaria alternata, with a MIC (minimum inhibitory concentration) of 1.22 mM. The antifungal effect of 2-Phenylethyl isothiocyanate against Alternaria alternata might be via reduction in toxin content and breakdown of cell membrane integrity[1][2].
Related Catalog	Research Areas >> Infection Signaling Pathways >> Anti-infection >> Fungal
References	[1]. B. J. Smith, et al. In vitro inhibition of soil microorganisms by 2-phenylethyl isothiocyanate. Plant Pathology. 4 October 2002;51(5):585-593. [2]. Zhang M, et al. 2-Phenylethyl Isothiocyanate Exerts Antifungal Activity against Alternaria alternata by Affecting Membrane Integrity and Mycotoxin Production. Toxins (Basel). 2020 Feb 15;12(2):124.

Density	1.094 g/mL at 25 °C(lit.)
Boiling Point	75 °C0.25 mm Hg
Molecular Formula	C₉H₉NS
Molecular Weight	163.23900
Flash Point	>230 °F
Exact Mass	163.04600
PSA	44.45000
LogP	2.33190
Vapour Pressure	0.0427mmHg at 25°C
Index of Refraction	n20/D 1.5888(lit.)
Water Solubility	insoluble

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX9115000

CHEMICAL NAME :: Isothiocyanic acid, phenethyl ester

CAS REGISTRY NUMBER :: 2257-09-2

BEILSTEIN REFERENCE NO. :: 2084162

LAST UPDATED :: 199701

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C9-H9-N-S

MOLECULAR WEIGHT :: 163.25

WISWESSER LINE NOTATION :: SCN2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: Mutation test systems - not otherwise specified

MUTATION DATA

TEST SYSTEM :: Mammal - species unspecified

DOSE/DURATION :: 800 ug/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 300,111,1993

Symbol	GHS07, GHS08
Signal Word	Danger
Hazard Statements	H302 + H312 + H332-H315-H317-H319-H334-H335
Precautionary Statements	P261-P280-P305 + P351 + P338-P342 + P311
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful;
Risk Phrases	R20/21/22
Safety Phrases	S23-S26-S36-S36/37
RIDADR	UN 2206 6.1/PG 3
WGK Germany	3
RTECS	NX9115000
Packaging Group	III
Hazard Class	8
HS Code	2930909090

Precursor 10
75-15-0 64-04-0 24954-65-2 96989-50-3
19457-11-5 6160-65-2 463-71-8 19457-13-7
32315-10-9 18085-24-0
DownStream 10
35653-54-4 6815-00-5 66491-03-0 1196-38-9
21198-23-2 15093-42-2 22245-96-1 76609-57-9
6552-60-9 66491-04-1