Benzaldehyde

Molecular Structure of Benzaldehyde (CAS NO.100-52-7):

IUPAC Name: 1benzaldehyde 
Empirical Formula: C₇H₆O
Molecular Weight: 106.1219
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 1
Index of Refraction: 1.566
Molar Refractivity: 33 cm³
Molar Volume: 101 cm³
Surface Tension: 38.8 dyne/cm
Density: 1.049 g/cm³
Flash Point: 62.8 °C
Enthalpy of Vaporization: 41.5 kJ/mol
Boiling Point: 178.7 °C at 760 mmHg
Vapour Pressure: 0.974 mmHg at 25°C
Appearance:Colorless to light yellow liquid
Melting point: -26 °C
Water Solubility: <0.01 g/100 mL at 19.5 ºC
InChI
InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
Smiles
c1(ccccc1)C=O
EINECS: 202-860-4
Product Categories: Pharmaceutical Intermediates; Benzaldehyde

Commercially, benzaldehyde (CAS NO.100-52-7) may be produced
(1) by heating benzal chloride (C₆H₅CHCl₂) with calcium hydroxide:
     C₆H₅CHCl₂ + Ca(OH)₂ → C₆H₅CHO + CaO + 2HCl
(2) by heating calcium benzoate and calcium formate:
    (C₆H₅COO)₂Ca + (HCOO)₂Ca → 2C₆H₅CHO + 2CaCO₃
(3) by boiling glucoside amygdalin of bitter almonds with a dilute acid.
Benzaldehyde (CAS NO.100-52-7) is manufactured in two grades, technical and refined. The technical grade is largely used as an intermediate in the synthesis of other chemicals, such as benzyl benzoate, cinnamic aldehyde, and dyes.
Most of the technical grade is made by direct vapor-phase oxidation of toluene, although some is made by chlorinating toluene to benzal chloride, followed by alkaline or acid hydrolysis. For perfume and flavoring use, the refined, chlorine-free grade is required, which is economically produced by the direct vapor-phase oxidation of toluene with air at 500 ℃.
            C₆H₅CH₃ + [O] → C₆H₅CH=O
It is claimed that a catalyst mixture of 93% uranium oxide and 7% molybdenum oxide gives relatively high yields. The oxidation is sometimes carried out in the liquid phase by using manganese dioxide/sulfuric acid at 40 ℃.

Hazard Codes: Xn
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 24
S24:Avoid contact with skin.
RIDADR: UN 1990 9/PG 3
WGK Germany: 1
RTECS: CU4375000
F: 8
HazardClass: 9
PackingGroup: III

 Benzaldehyde (CAS NO.100-52-7) is slightly soluble in water but is miscible in all proportions with alcohol or ether. On standing in air, benzaldehyde oxidizes readily to benzoic acid. Benzaldehyde (CAS NO.100-52-7) is a chemical compound consisting of a benzene ring with an aldehyde substituent. It is the simplest representative of the aromatic aldehydes and one of the most industrially used members of this family of compounds. Benzaldehyde (CAS NO.100-52-7) is an important component of the scent of almonds, hence its typical odor. It is the primary component of bitter almond oil extract, and can be extracted from many other natural sources in which it occurs, such as cherry, apricot, and laurel leaves, peach seeds , in a glycoside combined form (amygdalin), in certain nuts and kernels.

 Benzaldehyde (CAS NO.100-52-7) is used as a flavoring material, in the production of cinnamic acid, in the manufacture of malachite green dye, as an ingredient in pharmaceuticals, and as an intermediate in chemical syntheses.While benzaldehyde (CAS NO.100-52-7) is commonly used as a commercial food flavorant (almond flavor) or industrial solvent, it is used chiefly in the synthesis of other organic compounds, ranging from pharmaceuticals to plastic additives. Benzaldehyde (CAS NO.100-52-7) is also an important intermediate for the processing of perfume and flavoring compounds and in the preparation of certain aniline dyes.