Phenylethyl isothiocyanate, 96%, Thermo Scientific Chemicals

Description

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: 2257-09-2
• Molecular Formula: C₉H₉NS
• Molecular Weight (g/mol): 163.24
• MDL Number: MFCD00004821
• InChI Key: IZJDOKYDEWTZSO-UHFFFAOYSA-N
• ChEBI: CHEBI:351346

• Color: Colorless to Yellow
• Density: 1.1000g/mL
• Boiling Point: 113.0°C (1.0 mmHg)
• Flash Point: 100°C
• Infrared Spectrum: Authentic
• Assay Percent Range: 96%
• Packaging: Glass bottle
• Linear Formula: C₆H₅CH₂CH₂NCS
• Refractive Index: 1.5860 to 1.5910
• Quantity: 25 g
• Beilstein: 12, 1100
• Merck Index: 15, 7340
• Specific Gravity: 1.1
• Synonym: 2-phenylethyl isothiocyanate, phenethyl isothiocyanate, phenylethyl isothiocyanate, 2-isothiocyanatoethyl benzene, phenethyl mustard oil, phenylaethylsenfoel, benzene, 2-isothiocyanatoethyl, peitc, phenylethyl mustard oil, 2-phenylethylisothiocyanate
• Solubility Information: Solubility in water: insoluble
• SMILES: C1=CC=C(C=C1)CCN=C=S
• IUPAC Name: 2-isothiocyanatoethylbenzene
• PubChem CID: 16741
• Formula Weight: 163.24
• Percent Purity: 96%
• Physical Form: Liquid
• Chemical Name or Material: Phenylethyl isothiocyanate, 96%

Safety and Handling

Product Identifier

• Phenylethyl isothiocyanate

Signal Word

• Danger

Hazard Category

• Acute toxicity Category 4
• Serious eye damage/eye irritation Category 2
• Skin corrosion/irritation Category 2
• Skin sensitiser Category 1
• Specific target organ toxicity Category 3

Hazard Statement

• H334-May cause allergy or asthma symptoms or breathing difficulties if inhaled.
• H315-Causes skin irritation.
• H319-Causes serious eye irritation.
• H335-May cause respiratory irritation.
• H312-Harmful in contact with skin.
• H332-Harmful if inhaled.
• H302-Harmful if swallowed.

Precautionary Statement

• P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P301+P330+P331-IF SWALLOWED: rinse mouth. Do NOT induce vomiting.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
• P310-Immediately call a POISON CENTER/doctor/.

RUO – Research Use Only