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Allyl isothiocyanate

Catalog No. 06019 Name Sigma Aldrich
CAS Number 57-06-7 Website http://www.sigmaaldrich.com
M. F. C4H5NS Telephone 1-800-521-8956
M. W. 99.1542 Fax
Purity ≥98% (GC) Email
Storage Chembase ID: 52250

SYNONYMS

Title
异硫氰酸烯丙酯
IUPAC name
3-isothiocyanatoprop-1-ene
IUPAC Traditional name
allyl isothiocyanate
Synonyms
芥子油
Oil of mustard
AITC

DATABASE IDS

PubChem SID 24845895
MDL Number MFCD00004822
CAS Number 57-06-7
Beilstein Number 773748

PROPERTIES

Contains 0.1% BHT as stabilizer
Grade purum
Linear Formula CH2=CHCH2NCS
Purity ≥98% (GC)
Boiling Point 150 °C(lit.)
Density 1.013 g/mL at 25 °C(lit.)
Melting Point -80 °C(lit.)
Refractive Index n20/D 1.529(lit.)
Refractive Index n20/D 1.530
GHS Pictograms GHS06
GHS Pictograms GHS08
GHS Pictograms GHS09
GHS Signal Word Danger
GHS Hazard statements H301 + H331-H310-H315-H317-H319-H334-H410
European Hazard Symbols Toxic Toxic (T)
European Hazard Symbols Nature polluting Nature polluting (N)
MSDS Link Download
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
GHS Precautionary statements P261-P273-P280-P301 + P310-P302 + P350-P305 + P351 + P338
RID/ADR UN 1545 6.1/PG 2
Risk Statements 23/24/25-36/37/38-42/43-50/53
Safety Statements 23-26-36/37-45-61
Storage Temperature 2-8°C
Hazard Class 6.1
UN Number 1545
Packing Group 2
German water hazard class 3

DETAILS

Description (English)
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.
Description (简体中文)
Biochem/physiol Actions
十字花科植物的天然成分,具有抗肿瘤和抗氧化等特征。诱导膀胱中 II 相解毒酶的活性,可用于膀胱癌的化疗药物。

REFERENCES