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LC277 Allyl isothiocyanate

(stabilised) for synthesis


Order number Packaging Quantity Price €
AC27277 Glass bottle 5 ml 10.89
AC27277 Glass bottle 250 ml 26.1


Product information
Synonyms Isothiocyanic acid allyl ester, Volatile oil of mustard
Hill Formula C4H5NS
Chemical formula CH2=CHCH2NCS
HS Code 2930 90 99
EC number 200-309-2
Molar mass 99.15 g/mol
Storage Store at +2°C to +8°C.
CAS number 57-06-7


Chemical and physical data

Solubility 2 g/l (20 °C)
Melting point -80 °C
Molar mass 99.15 g/mol
Density 1.018 g/cm3 (20 °C)
Boiling point 151 – 153 °C (1013 hPa)
Vapor pressure 5.3 hPa (20 °C)
Flash point 46 °C
Refractive index 1.5306 (20 °C, 589 nm)


Safety information
R Phrase R 10-24/25-36/37/38-50/53
Flammable.Toxic in contact with skin and if swallowed.Irritating to eyes, respiratory system and skin.Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S Phrase S 36/37-45-61
Wear suitable protective clothing and gloves.In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).Avoid release to the environment. Refer to special instructions/ Safety data sheets.
Categories of danger flammable, toxic, irritant, dangerous for the environment
Hazard Symbol Toxic
Dangerous for the environment
Storage class 3 Flammable Liquids
WGK WGK 3 highly water endangering
Disposal 9
Carcinogenic compounds and flammable compounds labelled “Highly toxic” or “Toxic”: container F. Alkyl sulfates are carcinogenic; Take particular care to avoid inhalation and skin contact. To neutralize alkyl sulfates, add dropwise (from a dropping funnel) to concentrated ice-cool Ammonia solution (Cat.No. 105426) with vigorous stirring. Before placing in container D, check the pH with pH Universal indicator strips (Cat.No. 109535).


Transport information
Declaration (transport by sea) IMDG-Code UN 1545 ALLYL ISOTHIOCYANATE, STABILIZED, 6.1 (3), II
Declaration (transport by air) IATA-DGR UN 1545 ALLYL ISOTHIOCYANATE, STABILIZED, 6.1 (3), II


Toxicological data
LD 50 oral LD50 rat 112 mg/kg
LD 50 dermal LD50 rabbit 88 mg/kg


Assay (GC, area%) ∼95%
Density (d 20 °C/ 4 °C) 1.016 – 1.018
Identity (IR) passes test


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