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

Catalog No.	Quantity	Packaging
AC102955000	500 g	Glass bottle
AC102950050	5 g	Glass bottle
AC102951000	100 g	Glass bottle

Catalog No. AC102955000 Supplier Thermo Scientific Chemicals Supplier No. 102955000

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: 94%
• Packaging: Glass bottle
• Molecular Formula: C4H5NS
• Linear Formula: H₂C=CHCH₂NCS
• Refractive Index: 1.5290 to 1.5310
• Quantity: 500 g
• Beilstein: 04, 214
• Merck Index: 15, 286
• Stabilizer: 0.01% alpha-tocopherol
• Molecular Weight (g/mol): 99.151
• Formula Weight: 99.15
• Percent Purity: 94%
• Physical Form: Fine Crystalline Powder
• Chemical Name or Material: Allyl isothiocyanate, 94%

Safety and Handling

Hazard Category	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 toxic to aquatic life with long lasting effects.
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: Remove to fresh air and keep at rest in a position comfortable for breathing. If skin irritation occurs: Get medical advice/attention. If eye irritation persists: Get medical advice/attention.
EINECSNumber	200-309-2
RTECSNumber	NX8225000
TSCA	TSCA

SDS

RUO – Research Use Only