Benzaldehyde,2-hydroxy-6-methoxy- (700-44-7)

The 2-Hydroxy-6-methoxybenzaldehyde, with its CAS registry number 700-44-7, has the systematic name of 6-Methoxysalicylaldehyde. Being sensitive to air, its product categories are including Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde. 

The characteristics of this chemical are as below: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 13.69; (6)ACD/BCF (pH 7.4): 9.81; (7)ACD/KOC (pH 5.5): 226.2; (8)ACD/KOC (pH 7.4): 162.11; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 41.56 cm³; (15)Molar Volume: 123.5 cm³; (16)Polarizability: 16.47×10^-24 cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.231 g/cm³; (19)Flash Point: 107.8 °C; (20)Enthalpy of Vaporization: 52.09 kJ/mol; (21)Boiling Point: 262.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00651 mmHg at 25°C; (23)Exact Mass: 152.047344; (24)MonoIsotopic Mass: 152.047344; (25)Topological Polar Surface Area: 46.5; (26)Heavy Atom Count: 11; (27)Complexity: 135.

Use of this chemical: 2-hydroxy-6-methoxy-benzaldehyde could react to produce 2,6-dihydroxy-benzaldehyde. This reaction could happen in the presence of the reagent of AlCl₃ and benzene.

Production method of this chemical is below: 2,6-dimethoxy-benzaldehyde could react to produce 2-Hydroxy-6-methoxybenzaldehyde. This reaction could happen in the presence of the reagent of LiCl, and the solvent of dimethylformamide. And it needs the reaction time of 6 hours in the condition of heating.

When you are dealing with this chemical, you should be cautious. For being irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection and then you could take off immediately all contaminated clothing. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: COC1=CC=CC(=C1C=O)O
(2)InChI: InChI=1S/C8H8O3/c1-11-8-4-2-3-7(10)6(8)5-9/h2-5,10H,1H3
(3)InChIKey: DZJPDDVDKXHRLF-UHFFFAOYSA-N