p-Tolualdehyde

The CAS registry number of p-Tolualdehyde is 104-87-0. Its EINECS registry number is 203-246-9. The IUPAC name is 4-methylbenzaldehyde. In addition, the molecular formula is C₈H₈O and the molecular weight is 120.15. It is also called p-methyl benzaldehyde. What's more, it is a kind of clear colorless to pale yellow liquid and belongs to the classes of Aromatic Aldehydes & Derivatives (substituted); API Intermediates; Benzaldehyde (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. Besides, it should be stored in sealed container, and put in a cool and dry place. The storage place must stay away from oxidant, the fire and heat source.

Physical properties about this chemical are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.1; (4)ACD/BCF (pH 5.5): 23.23; (5)ACD/BCF (pH 7.4): 23.23; (6)ACD/KOC (pH 5.5): 330.69; (7)ACD/KOC (pH 7.4): 330.69; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Ų; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 37.83 cm³; (13)Molar Volume: 117.3 cm³; (14)Polarizability: 14.99 ×10^-24cm³; (15)Surface Tension: 37.2 dyne/cm; (16)Density: 1.023 g/cm³; (17)Flash Point: 80 °C; (18)Enthalpy of Vaporization: 44.07 kJ/mol; (19)Boiling Point: 204.5 °C at 760 mmHg; (20)Vapour Pressure: 0.263 mmHg at 25°C.

Preparation of p-Tolualdehyde: it may be prepared from the Friedel-Crafts formylation of toluene with carbon monoxide and hydrogen chloride under Gattermann-Koch conditions:

Uses of p-Tolualdehyde: it can be used as organic synthesis intermediates and essence. And it can react with allyl-trimethyl-silane to get 1-p-tolyl-but-3-en-1-ol. This reaction will need reagent dealuminated zeolite-Y exchanged with rare earth metal and solvent nitromethane. The reaction time is 18 hours at reaction temperature of 80 °C. The yield is about 55.0%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. 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)SMILES: O=Cc1ccc(C)cc1
(2)InChI: InChI=1/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
(3)InChIKey: FXLOVSHXALFLKQ-UHFFFAOYAK

The toxicity data is as follows: