3-Phenylpropionaldehyde, 95%, Thermo Scientific Chemicals

Product Code	Brand	Quantity
11474173	Thermo Scientific Alfa Aesar A10367.18	50 g
11484173	Thermo Scientific Alfa Aesar A10367.30	250 g
11464173	Thermo Scientific Alfa Aesar A10367.0B	1000 g

Description

3-Phenylpropionaldehyde is used as a flavoring agent. It is also used in the preparation of cinnamaldehyde, 2-chloro hydrocinnamaldehyde by alfa chlorination and mixture of homopropargyl alcohols. It serves as a precursor for the synthesis of mixture of syn- and anti-beta-hydroxyallylsilanes by hydroboration of allenylsilane. It is also involved in the catalytic asymmetric cyanosilylation to prepare (2S)-2-hydroxy-4-phenylbutanenitrile. Further, it undergoes Henry reaction to form nitroaldols by reacting with nitromethane.

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

Applications
3-Phenylpropionaldehyde is used as a flavoring agent. It is also used in the preparation of cinnamaldehyde, 2-chloro hydrocinnamaldehyde by alfa chlorination and mixture of homopropargyl alcohols. It serves as a precursor for the synthesis of mixture of syn- and anti-beta-hydroxyallylsilanes by hydroboration of allenylsilane. It is also involved in the catalytic asymmetric cyanosilylation to prepare (2S)-2-hydroxy-4-phenylbutanenitrile. Further, it undergoes Henry reaction to form nitroaldols by reacting with nitromethane.

Solubility
Miscible with chloroform, dichloromethane, ethyl acetate, alcohol and ether. Immiscible with water.

Notes
Incompatible with strong oxidizing agents and strong bases.

Chemical Identifiers

• CAS: 104-53-0
• Molecular Weight (g/mol): 134.178
• InChI Key: YGCZTXZTJXYWCO-UHFFFAOYSA-N
• PubChem CID: 7707
• SMILES: C1=CC=C(C=C1)CCC=O

• Molecular Formula: C9H10O
• MDL Number: MFCD00007021
• Synonym: benzenepropanal, 3-phenylpropionaldehyde, hydrocinnamaldehyde, hydrocinnamic aldehyde, dihydrocinnamaldehyde, benzylacetaldehyde, 3-phenyl-1-propanal, 3-phenylpropylaldehyde, 3-phenylpropyl aldehyde, propanal, phenyl
• IUPAC Name: 3-phenylpropanal

Specifications

• CAS: 104-53-0
• Density: 1.017
• Flash Point: 95°C (203°F)
• Linear Formula: C₆H₅(CH₂)₂CHO
• MDL Number: MFCD00007021
• Sensitivity: Air Sensitive
• Solubility Information: Miscible with chloroform,dichloromethane,ethyl acetate,alcohol and ether. Immiscible with water.
• SMILES: C1=CC=C(C=C1)CCC=O
• Molecular Weight (g/mol): 134.178
• Formula Weight: 134.18
• Chemical Name or Material: 3-Phenylpropionaldehyde

• Melting Point: °C to 42°C
• Boiling Point: 222°C to 223°C
• Molecular Formula: C9H10O
• Refractive Index: 1.523
• Beilstein: 1071910
• Synonym: benzenepropanal, 3-phenylpropionaldehyde, hydrocinnamaldehyde, hydrocinnamic aldehyde, dihydrocinnamaldehyde, benzylacetaldehyde, 3-phenyl-1-propanal, 3-phenylpropylaldehyde, 3-phenylpropyl aldehyde, propanal, phenyl
• InChI Key: YGCZTXZTJXYWCO-UHFFFAOYSA-N
• IUPAC Name: 3-phenylpropanal
• PubChem CID: 7707
• Percent Purity: 95%

Safety and Handling

GHS H Statement
H315-H319-H335

P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c

H315-H319-H335

missing translation for 'einecsNumber' : 203-211-8

missing translation for 'rtecsNumber' : MW4890000

missing translation for 'tsca' : Yes

Recommended Storage : Ambient temperatures; Store under Nitrogen

Signal Word

• Warning

Hazard Category

• Serious eye damage/eye irritation Category 2
• Skin corrosion/irritation Category 2
• Skin sensitiser Category 1

Hazard Statement

• H315-Causes skin irritation.
• H317-May cause an allergic skin reaction.
• H319-Causes serious eye irritation.

Precautionary Statement

• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P302+P352-IF ON SKIN: Wash with plenty of water/.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
• P332+P313-If skin irritation occurs: Get medical advice/attention.
• P337+P313-If eye irritation persists: Get medical advice/attention.

RUO – Research Use Only