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allyl isothiocyanate
(Q419406)
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From Wikidata
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
default for all languages
No label defined
–
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
Brassica napus
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)
Armoracia rusticana
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
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
2 references
stated in
PubChem
PubChem CID
5971
language of work or name
English
title
ALLYL ISOTHIOCYANATE
(English)
retrieved
3 October 2016
matched by identifier from
InChIKey
InChIKey
ZOJBYZNEUISWFT-UHFFFAOYSA-N
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
2 references
stated in
ChEBI
ChEBI ID
73224
language of work or name
English
title
allyl isothiocyanate
(English)
retrieved
3 October 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
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
NMRShiftDB structure ID
10009085
1 reference
matched by identifier from
InChIKey
InChIKey
ZOJBYZNEUISWFT-UHFFFAOYSA-N
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
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
ZOJBYZNEUISWFT-UHFFFAOYSA-N
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
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
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZOJBYZNEUISWFT-UHFFFAOYSA-N
KNApSAcK ID
C00058828
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZOJBYZNEUISWFT-UHFFFAOYSA-N
UNII
BN34FX42G3
2 references
stated in
Global Substance Registration System
UNII
BN34FX42G3
language of work or name
English
title
ALLYL ISOTHIOCYANATE
(English)
retrieved
3 October 2016
matched by identifier from
InChIKey
InChIKey
ZOJBYZNEUISWFT-UHFFFAOYSA-N
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)
edit
Wiktionary
(0 entries)
edit
Multilingual sites
(1 entry)
edit
commonswiki
Category:Allyl isothiocyanate
Retrieved from "
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allyl isothiocyanate
(Q419406)
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