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377430

Sigma-Aldrich

Allyl isothiocyanate

95%

Sinônimo(s):

AITC, Oil of mustard

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About This Item

Fórmula linear:
CH2=CHCH2NCS
Número CAS:
57-06-7
Peso molecular:
99.15
Beilstein:
773748
Número CE:
200-309-2
Número MDL:
MFCD00004822
Código UNSPSC:
12352100
ID de substância PubChem:
24863504
NACRES:
NA.22

Nível de qualidade

100

Ensaio

95%

Formulário

liquid

contém

BHT as stabilizer

índice de refração

n20/D 1.529 (lit.)

p.e.

150 °C (lit.)

pf

−80 °C (lit.)

densidade

1.013 g/mL at 25 °C (lit.)

grupo funcional

amine
isothiocyanate

temperatura de armazenamento

2-8°C

cadeia de caracteres SMILES

C=CCN=C=S

InChI

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

chave InChI

ZOJBYZNEUISWFT-UHFFFAOYSA-N

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Categorias relacionadas

Aplicação

Allyl isothiocyanate (AITC) was suitable for use in the following studies:
  • Quantitation of the N-acetylcysteine conjugate of AITC in human urine after ingestion of mustard.
  • Evaluation of the fungitoxic activity of AITC vapour on Penicillium expansum on pears, particularly on a thiabendazole (TBZ)-resistant P. expansum strain in vivo, to verify whether AITC treatment could be a substitute for TBZ.
  • Study of the induction of acetylation of histone in mouse erythroleukemia cells by some organosulfur compounds.

Ações bioquímicas/fisiológicas

Naturally occurring constituent of cruciferous vegetables.

Palavra indicadora

Danger

Classificações de perigo

Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B - Skin Sens. 1

Código de classe de armazenamento

3 - Flammable liquids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

113.0 °F - closed cup

Ponto de fulgor (°C)

45 °C - closed cup

Escolha uma das versões mais recentes:

Certificados de análise (COA)

Lot/Batch Number
SHBN1144
SHBL4835
MKCF5537
MKCD4877
MKCB7054

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Pesquise por COA

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Millipore

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A-967079 ≥98% (HPLC)

Sigma-Aldrich

SML0085

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Methyl isothiocyanate 97%

Sigma-Aldrich

112771

Methyl isothiocyanate

Antifungal vapour-phase activity of allyl-isothiocyanate against Penicillium expansum on pears.
Mari M, et al.
Plant Pathology, 51(2), 231-236 (2002)
I M Bruggeman et al.
Toxicology and applied pharmacology, 83(2), 349-359 (1986-04-01)
Ally isothiocyanate has been reported to be a bladder carcinogen in male rats. On the other hand, benzyl isothiocyanate is an anti-carcinogen. These contradicting properties led us to investigate the cytotoxicity of these compounds in RL-4 rat hepatocytes. Since conjugation
Francielle de Vargas Pinheiro et al.
European journal of pharmacology, 747, 105-113 (2014-12-17)
Sympathetic fibres maintain some forms of neuropathic pain, but the underlying mechanisms are poorly understood. Therefore, this study investigated the possible involvement of transient receptor potential ankyrin 1 (TRPA1) and the role of the sympathetic nervous system (involved in sympathetically
Ying Li et al.
Journal of colloid and interface science, 438, 130-137 (2014-12-03)
Allyl isothiocyanate (AITC), an organosulfur compound in cruciferous vegetables, is a natural antimicrobial and potential chemopreventive agent. However, the instability of AITC in aqueous systems restrains its applications. In this study, oil-in-water AITC nanoemulsion was prepared by the emulsion inversion
Jill M Recla et al.
Pain, 160(8), 1740-1753 (2019-07-25)
Identification of genetic variants that influence susceptibility to pain is key to identifying molecular mechanisms and targets for effective and safe therapeutic alternatives to opioids. To identify genes and variants associated with persistent pain, we measured late-phase response to formalin
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