Synonyms: AITC; Oil of mustard
CAS Number: 57-06-7
Formula: C4H5NS
Formula Weight: 99.15
Linear Formula: CH2=CHCH2NCS
MDL No.: MFCD00004822
Purity: 0.95
Boiling Point: 150 C(lit.)
Melting Point: -80 C (lit.)
Density: 1.013 g/mL at 25 C(lit.)
Refractive Index: n20/D 1.529(lit.)
Storage: 2-8C
Beilstein Registry Number: 773748
EC Number: 200-309-2
UNSPSC Code: 12352100
Application: 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.
Biochem/physiol Actions: Naturally occurring constituent of cruciferous vegetables that has anti-tumor and anti-oxidant properties. Induces the activity of phase II detoxification enzymes in the urinary bladder and, thus, may be chemoprotective against bladder cancer.
RIDADR: UN 1545 3(6.1) / PGII
WGK Germany: 3
Flash Point(F): 114.8 F
Flash Point(C): 46 C
R Codes: 10-23/24/25-36/37/38-42/43-50/53
S Codes: 26-36/37-45-60-61
IOD Codes: T,N
Symbol: GHS02, GHS06, GHS08, GHS09
Signal Word: Danger
Hazard Statements: H226-H301 + H331-H310-H315-H317-H319-H334-H410
Precautionary statements: P261-P273-P280-P301 + P310-P302 + P350-P305 + P351 + P338