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4-(2-Hydroxyethoxy)benzaldehyde

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Name

4-(2-Hydroxyethoxy)benzaldehyde

EINECS N/A
CAS No. 22042-73-5 Density 1.194 g/cm3
PSA 46.53000 LogP 0.87020
Solubility N/A Melting Point 36-38 °C
Formula C9H10O3 Boiling Point 335.2 °C at 760 mmHg
Molecular Weight 166.177 Flash Point 138.2 °C
Transport Information N/A Appearance Red the transparent Oil
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 22042-73-5 (4-(2-Hydroxyethoxy)benzaldehyde) Hazard Symbols IrritantXi
Synonyms

Benzaldehyde,p-(2-hydroxyethoxy)- (8CI);2-(p-Formylphenoxy)ethanol;4-(2-Hydroxyethoxy)benzaldehyde;p-(2-Hydroxyethoxy)benzaldehyde;p-Hydroxyethoxybenzaldehyde;

Article Data 40

4-(2-Hydroxyethoxy)benzaldehyde Specification

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: 35.53Å2; (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

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