393193

Hydrocinnamaldehyde

technical grade, 90%

• Synonym(s): 3-Phenylpropionaldehyde
• Linear Formula: C₆H₅CH₂CH₂CHO
• CAS Number: 104-53-0
• Molecular Weight: 134.18
• Beilstein/REAXYS Number: 1071910
• EC Number: 203-211-8
• MDL number: MFCD00007021
• UNSPSC Code: 12352100
• PubChem Substance ID: 24864504
• NACRES: NA.22

Properties

• grade: technical grade
• Quality Level: 100
• assay: 90%
• form: liquid
• impurities: <5% 3-phenyl-1-propanol
• refractive index: n20/D 1.523 (lit.)
• bp: 97-98 °C/12 mmHg (lit.)
• density: 1.019 g/mL at 25 °C (lit.)
• functional group: aldehyde; phenyl
• SMILES string: [H]C(=O)CCc1ccccc1
• InChI: 1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
• InChI key: YGCZTXZTJXYWCO-UHFFFAOYSA-N

Description

General description

Hydrocinnamaldehyde is C=C double bond hydrogenated cinnamaldehyde. It has been synthesized by the selective hydrogenation of C=C double bond of cinnamaldehyde by various methods. Hydrocinnamaldehyde and nitromethane undergoes Henry reaction to form nitroaldols. The C1 and C3 position labelled with ¹³C of hydrocinnamaldehyde was subjected to mass spectrometry and the fragmentation pattern was elucidated.

Application

Hydrocinnamaldehyde may be used in the synthesis of the following:

• 2-Chloro hydrocinnamaldehyde by α-chlorination.
• Mixture of homopropargyl alcohols by kinetic resolution-allenylboration reactions.
• Mixture of syn- and anti-β-hydroxyallylsilanes by hydroboration of allenylsilane.
• (2S)-2-Hydroxy-4-phenylbutanenitrile by catalytic asymmetric cyanosilylation.
• Cinnamaldehyde by dehydrogenation reaction using Pd(TFA)₂/4,5-diazafluorenone catalyst.

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 203.0 °F - closed cup
• flash_point_c: 95 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter