Phenethyl isocyanate, 99%, Thermo Scientific Chemicals

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.

Chemical Identifiers

CAS

1943-82-4

Molecular Formula

C₉H₉NO

Molecular Weight (g/mol)

147.18

MDL Number

MFCD00037044

InChI Key

HACRKYQRZABURO-UHFFFAOYSA-N

Synonym

phenethyl isocyanate, 2-isocyanatoethyl benzene, phenylethyl isocyanate, 2-phenylethyl isocyanate, 2-phenylethylisocyanate, phenylethylisocyanate, phenethylisocyanate, benzene, 2-isocyanatoethyl, 2-isocyanato-ethyl-benzene, 2-phenethyl isocyanate

PubChem CID

160602

ChEBI

CHEBI:60067

IUPAC Name

2-isocyanatoethylbenzene

SMILES

C1=CC=C(C=C1)CCN=C=O

Color

Colorless to Yellow

Density

1.0630g/mL

Boiling Point

210°C

Flash Point

99°C

Infrared Spectrum

Authentic

Assay Percent Range

98.5% min. (GC)

Packaging

Glass bottle

Refractive Index

1.5210 to 1.523

Linear Formula

C₆H₅(CH₂)₂NCO

Quantity

5 mL

Specific Gravity

1.063

Solubility Information

Solubility in water: decomposes. Other solubilities: soluble in toluene

Formula Weight

147.18

Percent Purity

99%

Physical Form

Liquid

Chemical Name or Material

Phenethyl isocyanate

Hazard Category

GHS Signal Word: Danger

Hazard Statement

GHS H Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled. Harmful if swallowed. Toxic if inhaled. Toxic to aquatic life with long lasting effects. Causes severe skin burns and eye damage. Causes serious eye damage. May cause an allergic skin reaction.

Precautionary Statement

GHS P Statement
IF SWALLOWED: rinse mouth. Do NOT induce vomiting. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Avoid breathing dust/fume/gas/mist/vapors/spray. IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortable for breathing. If experiencing respiratory symptoms: Call a POISON CENTER or doctor/physician. Wear eye protection/face protection. IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Avoid release to the environment. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.

SDS

Hazard Category

GHS Signal Word: Danger

Hazard Statement

GHS H Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled. Harmful if swallowed. Toxic if inhaled. Toxic to aquatic life with long lasting effects. Causes severe skin burns and eye damage. Causes serious eye damage. May cause an allergic skin reaction.

Precautionary Statement

GHS P Statement
IF SWALLOWED: rinse mouth. Do NOT induce vomiting. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Avoid breathing dust/fume/gas/mist/vapors/spray. IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortable for breathing. If experiencing respiratory symptoms: Call a POISON CENTER or doctor/physician. Wear eye protection/face protection. IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Avoid release to the environment. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.

SDS

RUO – Research Use Only