allyl isothiocyanate (Q419406)

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chemical compound

• Mustard oil
• 3-Isothiocyanato-1-propene
• AITC
• AIT
• oil of mustard
• allyl mustard oil
• volatile mustard oil
• isothiocyanic acid allyl ester
• 2-propenyl isothiocyanate
• oleum sinapis
• volatile oil of mustard
• allyl isosulfocyanate
• FEMA No. 2034
• Caswell No. 027
• Artificial mustard oil
• Allyl sevenolum
• Isothiocyansaeureallylester
• Allyl isothiocyanate (natural)
• Carbospol
• Allyl isosulphocyanate
• Allylisothiokyanat [czech]
• Oleum sinapis volatile
• Redskin
• Allyspol
• Allylsenevol
• Senfoel
• Allyl isothiocyanate non-perfume grade
• Allylsevenolum
• Synthetic mustard oil
• 3-Iso-Thiocyanatoprop-1-ene
• Allyl isothiocyanate (usp)
• 3-Isothiocyanatoprop-1-ene

edit

Language	Label	Description	Also known as
English	allyl isothiocyanate	chemical compound	Mustard oil 3-Isothiocyanato-1-propene AITC AIT oil of mustard allyl mustard oil volatile mustard oil isothiocyanic acid allyl ester 2-propenyl isothiocyanate oleum sinapis volatile oil of mustard allyl isosulfocyanate FEMA No. 2034 Caswell No. 027 Artificial mustard oil Allyl sevenolum Isothiocyansaeureallylester Allyl isothiocyanate (natural) Carbospol Allyl isosulphocyanate Allylisothiokyanat [czech] Oleum sinapis volatile Redskin Allyspol Allylsenevol Senfoel Allyl isothiocyanate non-perfume grade Allylsevenolum Synthetic mustard oil 3-Iso-Thiocyanatoprop-1-ene Allyl isothiocyanate (usp) 3-Isothiocyanatoprop-1-ene

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

has use

food preservative

1 reference

stated in

Medical Subject Headings

MeSH descriptor ID

C004471

retrieved

15 March 2018

chemical structure

Allyl-isothiocyanate-2D-skeletal.png
1,100 × 422; 22 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

99.01427 dalton

1 reference

stated in

PubChem

PubChem CID

5971

language of work or name

English

title

ALLYL ISOTHIOCYANATE (English)

retrieved

3 October 2016

chemical formula

C₄H₅NS

1 reference

stated in

PubChem

PubChem CID

5971

language of work or name

English

title

ALLYL ISOTHIOCYANATE (English)

retrieved

3 October 2016

canonical SMILES

C=CCN=C=S

1 reference

stated in

PubChem

PubChem CID

5971

language of work or name

English

title

ALLYL ISOTHIOCYANATE (English)

retrieved

3 October 2016

density

1.02 gram per cubic centimetre

1 reference

imported from Wikimedia project

Russian Wikipedia

Wikimedia import URL

https://ru.wikipedia.org/?oldid=104377699

melting point

−80 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

boiling point

151.5±0.5 degree Celsius

1 reference

imported from Wikimedia project

Russian Wikipedia

Wikimedia import URL

https://ru.wikipedia.org/?oldid=104377699

refractive index

1.52

1 reference

imported from Wikimedia project

Russian Wikipedia

Wikimedia import URL

https://ru.wikipedia.org/?oldid=104377699

found in taxon

Brassica oleracea

3 references

stated in

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

stated in

Occurrence and Flavor Properties of Sinigrin Hydrolysis Products in Fresh Cabbage

stated in

Investigation of Brassica oleracea and Nasturtium officinale seeds for the presence of epithiospecifier protein

rapeseed

2 references

stated in

ALLYL ISOTHIOCYANATE RELEASE AND THE ALLELOPATHIC POTENTIAL OF BRASSICA NAPUS (BRASSICACEAE)

stated in

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

Eutrema japonicum

3 references

stated in

Allyl thiocyanate — Natural product or artifact in Crucifer extracts?

stated in

Analysis of Volatile Components in Essential Oil of UplandWasabiand Their Inhibitory Effects on Platelet Aggregation

stated in

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

Brassica juncea

3 references

stated in

Volatile constituents occurring in autolyzed leaves of three cruciferous vegetables.

stated in

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

stated in

Direct and simultaneous analysis of sinigrin and allyl isothiocyanate in mustard samples by high-performance liquid chromatography

Descurainia sophia

1 reference

stated in

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

Brassica nigra

2 references

stated in

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

stated in

Antiangiogenic and proapoptotic activities of allyl isothiocyanate inhibit ascites tumor growth in vivo.

Brassica carinata

1 reference

stated in

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

Allium chinense

1 reference

stated in

Evaluation of larvicidal activity of the essential oil of Allium macrostemon Bunge and its selected major constituent compounds against Aedes albopictus (Diptera: Culicidae)

Alliaria petiolata

2 references

stated in

Ueber das flüchtige Oel der Alliaria officinalis

stated in

Free and Bound Volatiles of Garlic Mustard (Alliaria petiolata)

horseradish plant

2 references

stated in

Ueber die Zusammensetzung des Meerrettig-Oels (Ol. armoraciae)

stated in

Ueber den Ursprung des Allylsenföls aus der Wurzel vonCochlearia Armoracia

Sinapis alba

1 reference

stated in

Acaricidal constituents isolated from Sinapis alba L. seeds and structure-activity relationships

Garlic (allium sativum)

1 reference

stated in

Phenolic constituents, antioxidant, antimicrobial and anti-proliferative activities of different endemic Italian varieties of garlic ( Allium sativum L.)

Arabidopsis thaliana

1 reference

stated in

The Arabidopsis Epithiospecifier Protein Promotes the Hydrolysis of Glucosinolates to Nitriles and Influences Trichoplusia ni Herbivory

physically interacts with

Transient receptor potential cation channel, subfamily A, member 1

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

2420

language of work or name

English

retrieved

17 August 2016

taste receptor type 2

subject has role

agonist

1 reference

stated in

The Molecular Receptive Ranges of Human TAS2R Bitter Taste Receptors

described by source

Encyclopædia Britannica 11th edition

statement is subject of

1911 Encyclopædia Britannica/Mustard Oils

0 references

has characteristic

bitterness

1 reference

stated in

BitterDB

has part(s)

carbon

0 references

nitrogen

0 references

sulfur

0 references

hydrogen

0 references

Commons category

Allyl isothiocyanate

0 references

Identifiers

InChI

InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2

1 reference

stated in

PubChem

PubChem CID

5971

language of work or name

English

title

ALLYL ISOTHIOCYANATE (English)

retrieved

3 October 2016

InChIKey

ZOJBYZNEUISWFT-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

5971

language of work or name

English

title

ALLYL ISOTHIOCYANATE (English)

retrieved

3 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

57-06-7

2 references

stated in

ChEBI

ChEBI ID

73224

language of work or name

English

title

allyl isothiocyanate (English)

retrieved

3 October 2016

InChIKey

ZOJBYZNEUISWFT-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=57-06-7

ChemSpider ID

21105854

1 reference

stated in

ChemSpider

ChemSpider ID

21105854

language of work or name

English

title

Allyl isothiocyanate (English)

retrieved

3 October 2016

PubChem CID

5971

1 reference

stated in

PubChem

PubChem CID

5971

language of work or name

English

title

ALLYL ISOTHIOCYANATE (English)

retrieved

3 October 2016

Reaxys registry number

773748

1 reference

stated in

ChEBI

ChEBI ID

73224

language of work or name

English

title

allyl isothiocyanate (English)

retrieved

3 October 2016

ChEBI ID

73224

mapping relation type

exact match

1 reference

stated in

ChEBI

ChEBI ID

73224

language of work or name

English

title

allyl isothiocyanate (English)

retrieved

3 October 2016

ChEMBL ID

CHEMBL233248

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL233248

language of work or name

English

title

ALLYL ISOTHIOCYANATE (English)

retrieved

3 October 2016

UniChem compound ID

41189

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP009050

0 references

SPLASH

splash10-00kf-9000000000-f39db8b3315f05512c4e

0 references

splash10-0005-9000000000-52a42150ed565c57dd63

0 references

splash10-000l-9000000000-fd8f23ba9a99d3b95b60

0 references

splash10-000e-9000000000-69a4920e3d464262cd5f

0 references

ICSC ID

0372

0 references

CAMEO Chemicals ID

2367

0 references

ZVG number

510357

1 reference

imported from Wikimedia project

German Wikipedia

HSDB ID

617

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

617

publication date

28 October 2019

title

ALLYL ISOTHIOCYANATE (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID3020047

1 reference

stated in

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

DSSTOX compound identifier

DTXCID8047

0 references

NSC number

5572

0 references

760137

0 references

EC number

200-309-2

1 reference

stated in

Global Substance Registration System

UNII

BN34FX42G3

language of work or name

English

title

ALLYL ISOTHIOCYANATE (English)

retrieved

3 October 2016

ECHA Substance Infocard ID

100.000.281

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.000.281

retrieved

27 December 2018

title

Allyl isothiocyanate (English)

quotation

CAS no.: 57-06-7 (English)

FL number

12.025

1 reference

quotation

CAS no.: 57-06-7 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

12.025

PesticideInfo chemical ID

PRI1089

0 references

AICS Chemical ID (BEING DELETED)

543

0 references

Guide to Pharmacology Ligand ID

2420

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

2420

language of work or name

English

title

allyl isothiocyanate (English)

retrieved

3 October 2016

MeSH descriptor ID

C004471

1 reference

stated in

Medical Subject Headings

MeSH descriptor ID

C004471

retrieved

14 March 2018

Human Metabolome Database ID

HMDB0005843

1 reference

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00058828

1 reference

based on heuristic

inferred from InChIKey

UNII

BN34FX42G3

1 reference

stated in

Global Substance Registration System

UNII

BN34FX42G3

language of work or name

English

title

ALLYL ISOTHIOCYANATE (English)

retrieved

3 October 2016

Probes And Drugs ID

PD000195

0 references

KEGG ID

D02818

1 reference

stated in

ChEBI

ChEBI ID

73224

language of work or name

English

title

allyl isothiocyanate (English)

retrieved

3 October 2016

C19317

1 reference

stated in

ChEBI

ChEBI ID

73224

language of work or name

English

title

allyl isothiocyanate (English)

retrieved

3 October 2016

CAB ID

20028

1 reference

stated in

CAB Thesaurus

retrieved

6 April 2020

20031

1 reference

stated in

CAB Thesaurus

retrieved

6 April 2020

Encyclopædia Britannica Online ID

science/allyl-isothiocyanate

subject named as

allyl isothiocyanate

0 references

Freebase ID

/m/05csxz

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

JECFA number

1560

1 reference

stated in

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

retrieved

13 May 2021

Microsoft Academic ID

2777103848

0 references

2909165594

0 references

NE.se ID

allylisotiocyanat

0 references

OpenAlex ID

C2777103848

1 reference

stated in

OpenAlex

retrieved

26 January 2022

reference URL

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

ScienceDirect topic ID

agricultural-and-biological-sciences/allyl-isothiocyanate

0 references

UMLS CUI

C0051231

1 reference

based on heuristic

inferred by common MeSH mappings on source and on Wikidata

stated in

UMLS 2023

retrieved

25 May 2023

 

Sitelinks

Wikipedia(24 entries)

edit

• arwiki إيزوثيوسيانات الأليل
• cswiki Allyl-isothiokyanát
• dewiki Allylisothiocyanat
• enwiki Allyl isothiocyanate
• eowiki Alila izotiocianato
• euwiki Alil isotiozianato
• fawiki آلیل ایزوتیوسیانات
• fiwiki Allyyli-isotiosyanaatti
• frwiki Isothiocyanate d'allyle
• glwiki Alil isotiocianato
• huwiki Allil-izotiocianát
• itwiki Isotiocianato di allile
• jawiki アリルイソチオシアネート
• nlwiki Allylisothiocyanaat
• plwiki Izotiocyjanian allilu
• ptwiki Isotiocianato de alila
• rowiki Izotiocianat de alil
• ruwiki Аллилизотиоцианат
• shwiki Alil izotiocijanat
• srwiki Alil izotiocijanat
• svwiki Allylisotiocyanat
• ukwiki Аллілгірчична олія
• viwiki Allyl isothiocyanate
• zhwiki 异硫氰酸烯丙酯

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(1 entry)

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• commonswiki Category:Allyl isothiocyanate

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