Allyl isothiocyanate, 94%, stabilized with 0.01% alpha-tocopherol

Description

CAS: 57-06-7 | C₄H₅NS | 99.15 g/mol

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

• CAS: 57-06-7
• MDL Number: MFCD00004822
• InChI Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N
• Synonym: allyl isothiocyanate, mustard oil, redskin, allylsenevol, allylsenfoel, allyl mustard oil, oleum sinapis, oil of mustard, allylsevenolum, senfoel
• PubChem CID: 5971
• ChEBI: CHEBI:73224
• IUPAC Name: 3-isothiocyanatoprop-1-ene
• SMILES: C=CCN=C=S

• CAS Min %: 92.0
• CAS Max %: 100.0
• Melting Point: -80.0°C
• Color: White
• Density: 1.0175g/mL
• Boiling Point: 151.0°C to 153.0°C
• Flash Point: 46°C
• Infrared Spectrum: Authentic
• Assay Percent Range: 92% min. (GC)
• Packaging: Glass bottle
• Molecular Formula: C₄H₅NS
• Linear Formula: H₂C=CHCH₂NCS
• Refractive Index: 1.5290 to 1.5310
• Quantity: 5 g
• Beilstein: 04, 214
• Specific Gravity: 1.0175
• Merck Index: 15, 286
• Solubility Information: Solubility in water: 2g/L water (20°C). Other solubilities: ethanol of 65 vol%- 1:20 v/v,diethylphthalate - in all proportions,paraffin oil 65 cp- in all proportions,1,2-propanediol - 1:5 v/v,soluble in ether,acetone,benzene,cs2
• Molecular Weight (g/mol): 99.15
• Stabilizer: 0.01% alpha-tocopherol
• Formula Weight: 99.15
• Percent Purity: 94%
• Physical Form: Fine Crystalline Powder
• Chemical Name or Material: Allyl isothiocyanate, 94%

Safety and Handling

Hazard Category	GHS Signal Word: Danger
Hazard Statement	GHS H Statement Flammable liquid and vapor. Toxic if swallowed. Fatal in contact with skin. Fatal if inhaled. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation. Very t
Precautionary Statement	GHS P Statement Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Wear protective gloves/protective clothing/eye protection/face protection. Immediately call a POISON CENTER or doctor/physician. IF INHALED: Remov
EINECSNumber	200-309-2
RTECSNumber	NX8225000
TSCA	TSCA

SDS

RUO – Research Use Only