PHENYLGLYOXAL

The Benzeneacetaldehyde, α-oxo- is an organic compound with the formula C₈H₆O₂. The IUPAC name of this chemical is 2-Oxo-2-phenylacetaldehyde. With the CAS registry number 1074-12-0, it is also named as Oxo(phenyl)acetaldehyde. Besides, it is white to light yellow powder.

Physical properties about Benzeneacetaldehyde, α-oxo- are: (1)ACD/LogP: 0.95; (2)ACD/LogD (pH 5.5): 0.95; (3)ACD/LogD (pH 7.4): 0.95; (4)ACD/BCF (pH 5.5): 3.1; (5)ACD/BCF (pH 7.4): 3.1; (6)ACD/KOC (pH 5.5): 78.26; (7)ACD/KOC (pH 7.4): 78.26; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 34.14 Å²; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 36.46 cm³; (13)Molar Volume: 118.2 cm³; (14)Polarizability: 14.45×10^-24 cm³; (15)Surface Tension: 42.1 dyne/cm; (16)Density: 1.133 g/cm³; (17)Flash Point: 69.8 °C; (18)Enthalpy of Vaporization: 43.6 kJ/mol; (19)Boiling Point: 199.8 °C at 760 mmHg; (20)Vapour Pressure: 0.334 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-Phenyl-ethane-1,2-diol. This reaction will need reagents KMnO₄; acetic acid, catalyst tris<2-(2-methoxyethoxy)ethyl>amine and solvent CH₂Cl₂. The reaction time is 4 hours. The yield is about 84%.

Uses of Benzeneacetaldehyde, α-oxo-: it can be used to produce 2,2-Dimethoxy-1-phenyl-ethanone. This reaction is a kind of Condensation. It will need catalyst cadmium iodide with reaction time of 2.5 min. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, do not breathe dust and wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
(2)InChIKey: OJUGVDODNPJEEC-UHFFFAOYAA
(3)Std. InChI: InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
(4)Std. InChIKey: OJUGVDODNPJEEC-UHFFFAOYSA-N