Benzaldehyde,4-(2-hydroxyethoxy)- (22042-73-5)

The CAS register number of 4-(2-Hydroxyethoxy)benzaldehyde is 22042-73-5. It also can be called as Benzaldehyde, 4-(2-hydroxyethoxy)- and the IUPAC name about this chemical is 4-(2-hydroxyethoxy)benzaldehyde. The molecular formula about this chemical is C₉H₁₀O₃ and molecular weight is 166.17.

Physical properties about 4-(2-Hydroxyethoxy)benzaldehyde are: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): 0.73; (3)ACD/LogD (pH 7.4): 0.73; (4)ACD/BCF (pH 5.5): 2.1; (5)ACD/BCF (pH 7.4): 2.1; (6)ACD/KOC (pH 5.5): 59.11; (7)ACD/KOC (pH 7.4): 59.11; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 35.53Ų; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 45.85 cm³; (14)Molar Volume: 139.1 cm³; (15)Polarizability: 18.17x10^-24cm³; (16)Surface Tension: 47.6 dyne/cm; (17)Enthalpy of Vaporization: 61.04 kJ/mol; (18)Boiling Point: 335.2 °C at 760 mmHg; (19)Vapour Pressure: 4.78E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-(4-hydroxymethyl-phenoxy)-ethanol. This reaction will need reagent n-butylammonium:18-crown-6 chlorochromate 2:1 complex and solvent CHCl₃. The reaction time is 2.5 hour(s). The yield is about 70%.

Uses of 4-(2-Hydroxyethoxy)benzaldehyde: it can be used to produce 2-[p-(2-hydroxyethoxy)phenyl]benzothiazole with 2-amino-benzenethiol at heating. This reaction will need solvent pyridine with reaction time of 1 hours. The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
This chemical is 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(OCCO)cc1
(2)InChI: InChI=1/C9H10O3/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7,10H,5-6H2
(3)InChIKey: VCDGTEZSUNFOKA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H10O3/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7,10H,5-6H2
(5)Std. InChIKey: VCDGTEZSUNFOKA-UHFFFAOYSA-N