phenethyl isothiocyanate (Q7181339)

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chemical compound

(2-Isothiocyanatoethyl)benzene
beta-phenylethyl isothiocyanate
beta-phenethyl isothiocyanate
2-Phenylethyl isothiocyanate
Phenethyl mustard oil
Phenylethyl isothiocyanate
PEITC

Language	Label	Description	Also known as
default for all languages	No label defined
English	phenethyl isothiocyanate	chemical compound	(2-Isothiocyanatoethyl)benzene beta-phenylethyl isothiocyanate beta-phenethyl isothiocyanate 2-Phenylethyl isothiocyanate Phenethyl mustard oil Phenylethyl isothiocyanate PEITC

Statements

type of chemical entity

0 references

phenethylamine alkaloid

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chemical structure

Phenethyl isothiocyanate.svg
512 × 191; 11 KB

0 references

163.046 dalton

1 reference

language of work or name

Phenethyl isothiocyanate (English)

12 October 2016

chemical formula

C₉H₉NS

1 reference

language of work or name

Phenethyl isothiocyanate (English)

12 October 2016

canonical SMILES

C1=CC=C(C=C1)CCN=C=S

1 reference

language of work or name

Phenethyl isothiocyanate (English)

12 October 2016

Brassica oleracea

1 reference

Glucosinolates and derived products in cruciferous vegetables. Identification of organic nitriles from cabbage

1 reference

Seed ofBarbarea vernaas a Rich Source of Phenethyl Isothiocyanate to Provide Natural Protection from Environmental and Dietary Toxins

Descurainia sophia

1 reference

Comparative study of the volatile aglucones of glucosinolates from in vivo and in vitro grown Descurainia sophia and Alyssum minimum using gas chromatography—mass spectrometry

2 references

Headspace volatiles of whole plants and macerated plant parts of Brassica and Sinapis

GC-MS Analysis of the Extracts from Korean Cabbage (Brassica campestris L. ssp. pekinensis) and Its Seed

Brassica campestris

1 reference

Headspace volatiles of whole plants and macerated plant parts of Brassica and Sinapis

Brassica carinata

1 reference

Headspace volatiles of whole plants and macerated plant parts of Brassica and Sinapis

Nasturtium officinale

1 reference

7-Methylsulfinylheptyl and 8-methylsulfinyloctyl isothiocyanates from watercress are potent inducers of phase II enzymes.

Eutrema japonicum

1 reference

Isothiocyanates in the stems and the leaves of wasabi (Wasabia japonica Matsum).

2 references

Headspace volatiles of whole plants and macerated plant parts of Brassica and Sinapis

GC-MS Analysis of the Extracts from Korean Cabbage (Brassica campestris L. ssp. pekinensis) and Its Seed

physically interacts with

taste receptor type 2

subject has role

1 reference

The Molecular Receptive Ranges of Human TAS2R Bitter Taste Receptors

has characteristic

1 reference

subject has role

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

enzyme inhibitor

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

anticarcinogens

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Commons category

Phenethyl isothiocyanate

0 references

Identifiers

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

1 reference

language of work or name

Phenethyl isothiocyanate (English)

12 October 2016

IZJDOKYDEWTZSO-UHFFFAOYSA-N

2 references

language of work or name

Phenethyl isothiocyanate (English)

12 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

phenethyl isothiocyanate (English)

12 October 2016

IZJDOKYDEWTZSO-UHFFFAOYSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=2257-09-2

1 reference

language of work or name

Phenethyl isothiocyanate (English)

12 October 2016

2 references

language of work or name

Phenethyl isothiocyanate (English)

12 October 2016

matched by identifier from

IZJDOKYDEWTZSO-UHFFFAOYSA-N

Reaxys registry number

2084162

1 reference

language of work or name

phenethyl isothiocyanate (English)

12 October 2016

mapping relation type

2 references

language of work or name

phenethyl isothiocyanate (English)

12 October 2016

matched by identifier from

International Chemical Identifier

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

1 reference

language of work or name

PHENETHYLISOTHIOCYANATE (English)

12 October 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

IZJDOKYDEWTZSO-UHFFFAOYSA-N

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP000925

0 references

splash10-0006-9300000000-dce10ef46bd36fa88995

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splash10-0006-9400000000-89e2793dff2133a5d196

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NMRShiftDB structure ID

1 reference

matched by identifier from

IZJDOKYDEWTZSO-UHFFFAOYSA-N

DSSTox substance ID

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

IZJDOKYDEWTZSO-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

0 references

1 reference

Global Substance Registration System

language of work or name

PHENETHYL ISOTHIOCYANATE (English)

12 October 2016

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Phenethyl isothiocyanate (English)

CAS no.: 2257-09-2 (English)

12.193

1 reference

CAS no.: 2257-09-2 (English)

23 January 2021

12.193

1 reference

CosIng database

28 December 2019

PHENETHYL ISOTHIOCYANATE (English)

CAS no.: 2257-09-2 (English)

MeSH descriptor ID

subject named as

phenethyl isothiocyanate

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

1 reference

matched by identifier from

IZJDOKYDEWTZSO-UHFFFAOYSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

IZJDOKYDEWTZSO-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

IZJDOKYDEWTZSO-UHFFFAOYSA-N

2 references

Global Substance Registration System

language of work or name

PHENETHYL ISOTHIOCYANATE (English)

12 October 2016

matched by identifier from

IZJDOKYDEWTZSO-UHFFFAOYSA-N

Probes And Drugs ID

0 references

IEDB Epitope ID

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

1 March 2022

0 references

1563

1 reference

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)

13 May 2021

Microsoft Academic ID

0 references

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

1 reference

based on heuristic

inferred by common MeSH mappings on source and on Wikidata

25 May 2023

Sitelinks

Wikipedia(11 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(1 entry)

commonswiki Category:Phenethyl isothiocyanate

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