Phenylacetaldehyde 99%min supplier in China CAS NO.122-78-1

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1. Introduction of Phenylacetaldehyde

Phenylacetaldehyde is an aromatic compound found in buckwheat,chocolate and many other foods and flowers. It is also responsible for the antibiotic activity of maggot therapy and it is also a compound that is added to cigarettes to improve their aroma.Many insects (Lepidoptera, Hymenoptera, Coleoptera and Neuroptera) use this substance for communication.The aroma of pure substance can be described as: honey-like, sweet, rose, green, grassy. Phenylacetaldehyde is often contaminated with polystyrene oxide polymer because of the especial lability of the benzylic alpha proton and the reactivity of the aldehyde. Aldol condensation of the initial dimer gives rise to a range of Michael acceptors and donors
 

2. Properties of Phenylacetaldehyde

ACD/LogP: 1.76 ACD/LogD (pH 5.5): 1.76 ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 5.5): 12.80 ACD/BCF (pH 7.4): 12.80
ACD/KOC (pH 5.5): 215.87 ACD/KOC (pH 7.4): 215.87
#H bond acceptors: 1 #Freely Rotating Bonds: 2 Polar Surface Area: 17.07  2
Index of Refraction: 1.513 Molar Refractivity: 35.989 cm3
Molar Volume: 119.569 cm3 Polarizability: 14.267 10-24cm3
Surface Tension: 35.935001373291 dyne/cm Density: 1.005 g/cm3
Flash Point: 89.206 °C Enthalpy of Vaporization: 43.416 kJ/mol
Boiling Point: 197.963 °C at 760 mmHg Vapour Pressure: 0.368000000715256 mmHg at 25°C
 

3. Structure descriptors of Phenylacetaldehyde

SMILES:O=CCc1ccccc1

Std. InChI:InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2

Std. InChIKey:DTUQWGWMVIHBKE-UHFFFAOYSA-N