5-Methylsalicylaldehyde

The 5-Methylsalicylaldehyde with cas registry number of 613-84-3 is also known as 2,5-Cresotaldehyde. Both its systematic name and IUPAC name are the same which is called 2-hydroxy-5-methylbenzaldehyde. This chemical belongs to Aromatic Aldehydes & Derivatives. It is pale yellow to yellow crystalline powder with EINECS registry number of 210-357-6.

The physical properties about this chemical are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 21.92; (6)ACD/BCF (pH 7.4): 20.24; (7)ACD/KOC (pH 5.5): 317.18; (8)ACD/KOC (pH 7.4): 292.79; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 39.71 cm³; (14)Molar Volume: 115.8 cm³; (15)Surface Tension: 48.1 dyne/cm; (16)Density: 1.175 g/cm³; (17)Flash Point: 85.1 °C; (18)Enthalpy of Vaporization: 47.24 kJ/mol; (19)Boiling Point: 217.5 °C at 760 mmHg; (20)Vapour Pressure: 0.09 mmHg at 25°C.

Preparation of 5-Methylsalicylaldehyde: it can be made by reaction of formaldehyde and 4-methyl-phenol. This reaction will need reagents MgCl₂, Et₃N and solvent acetonitrile. The reaction time is 4 hours with 90% yield.

Uses of 5-Methylsalicylaldehyde: it can be used to prepare 3-bromo-2-hydroxy-5-methyl-benzaldehyde by using reagents bromine, AcOH. The reaction time is 1.5 hours with 70% yield.

When you are using this chemical, please be cautious about it as the following:
Wear suitable protective clothing for it is irritating to eyes, respiratory system and skin. 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=Cc1cc(ccc1O)C;
(2)InChI: InChI=1/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-5,10H,1H3;
(3)InChIKey: ILEIUTCVWLYZOM-UHFFFAOYAC