Allyl isothiocyanate
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Allyl isothiocyanate (AITC) is a naturally occurring unsaturated isothiocyanate. The colorless oil is responsible for the pungent taste of cruciferous vegetables such as mustard, radish, horseradish, and wasabi. This pungency and the lachrymatory effect of AITC are mediated through the TRPA1 and TRPV1 ion channels.[1][2][3] It is slightly soluble in water, but more soluble in most organic solvents.[4]
Quick Facts Names, Identifiers ...
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Preferred IUPAC name
3-Isothiocyanatoprop-1-ene | |
Other names
Synthetic mustard oil | |
Identifiers | |
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3D model (JSmol) |
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ChEBI | |
ChEMBL | |
ChemSpider |
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ECHA InfoCard | 100.000.281 |
EC Number |
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KEGG | |
PubChem CID |
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RTECS number |
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UNII | |
UN number | 1545 |
CompTox Dashboard (EPA) |
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Properties | |
C4H5NS | |
Molar mass | 99.15 g·mol−1 |
Density | 1.013–1.020 g/cm3 |
Melting point | −102 °C (−152 °F; 171 K) |
Boiling point | 148 to 154 °C (298 to 309 °F; 421 to 427 K) |
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GHS labelling: | |
Danger | |
H226, H301, H310, H315, H319, H330, H335, H410 | |
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P273, P280, P284, P301+P310, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, P501 | |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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