W401404

Sigma-Aldrich

2-Phenylethyl isothiocyanate

FG

Sinônimo(s):
2-Phenylethyl isothiocyanate, Phenethyl isothiocyanate
Fórmula linear:
C6H5CH2CH2NCS
Número CAS:
Peso molecular:
163.24
Número FEMA:
4014
Beilstein/REAXYS Number:
2084162
Número EC:
Número MDL:
ID de substância PubChem:
Número de Flavis:
12.193

Nível de qualidade

400

fonte biológica

synthetic

grau

FG
Halal
Kosher

Agência/Método

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

índice de refração

n20/D 1.5888 (lit.)

pb

139-140 °C/11 mmHg (lit.)

densidade

1.094 g/mL at 25 °C (lit.)

Documentação

see Safety & Documentation for available documents

Setor em destaque

Flavors and Fragrances

Organoléptico

green; sulfurous

alérgeno alimentar

no known allergens

alérgeno de fragrância

no known allergens

SMILES string

S=C=NCCc1ccccc1

InChI

1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2

InChI key

IZJDOKYDEWTZSO-UHFFFAOYSA-N

Gene Information

human ... CYP1A2(1544)

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Categorias relacionadas

Descrição geral

2-Phenylethyl isothiocyanate (2-PE ITC) is a bioactive isothiocyanate mainly found in Brassica vegetables. It is produced by the enzymatic hydrolysis of 2-phenylethyl glucosinolate. 2-PE ITC is the main compound responsible for the nematicidal effect of Brassica root tissues against (Pratylenchus neglectus Filipjev), a root-lesion nematode. This ability makes it a promising candidate for the development of soil fumigants.

Outras notas

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Pictogramas

Exclamation markHealth hazard

Palavra indicadora

Danger

Órgãos-alvo

Respiratory system

Equipamento de proteção individual

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

RIDADR

UN 2206PSN2C 6.1 / PGIII

WGK Alemanha

WGK 3

Ponto de fulgor (ºF)

235.4 °F - closed cup

Ponto de fulgor (ºC)

113 °C - closed cup

In vitro inhibition of soil microorganisms by 2?phenylethyl isothiocyanate.
Smith BJ & Kirkegaard JA
Plant Pathology, 51(5), 585-593 (2002)
Antibacterial activity and synergistic effect between watercress extracts, 2?phenylethyl isothiocyanate and antibiotics against 11 isolates of Escherichia coli from clinical and animal source.
Freitas E, et al.
Letters in Applied Microbiology, 57(4), 266-273 (2013)
Evaluation of Antibacterial Activity of 3?Butenyl, 4?Pentenyl, 2?Phenylethyl, and Benzyl Isothiocyanate in Brassica Vegetables
Jang M, et al.
Journal of Food Science, 75(7) (2010)
Reduced susceptibility of Brassica napus to Pratylenchus neglectus in plants with elevated root levels of 2-phenylethyl glucosinolate.
Potter MJ, et al.
Journal of Nematology, 31(3), 291-291 (1999)
Andrzej Pawlik et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 50(10), 3577-3594 (2012-08-01)
Isothiocyanates are known for their anticarcinogenic and antitumor potential, however, the exact mechanism of their action has not been fully elucidated. The present study was designed to investigate and compare the effects of phenethyl isothiocyanate on cell morphology, the cytoskeleton...

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