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Name |
4-Benzyloxy-2-hydroxybenzaldehyde |
EINECS | -0 |
CAS No. | 52085-14-0 | Density | 1.238g/cm3 |
PSA | 46.53000 | LogP | 2.78370 |
Solubility | N/A | Melting Point |
78-80°C |
Formula | C14H12O3 | Boiling Point | 390.9 °C at 760 mmHg |
Molecular Weight | 228.247 | Flash Point | 149.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; | |
Synonyms |
Salicylaldehyde, 4-(benzyloxy)-(6CI,7CI);2-Hydroxy-4-(benzyloxy)benzaldehyde;4-(Benzyloxy)-2-hydroxybenzaldehyde;4-(Benzyloxy)salicylaldehyde; |
Article Data | 61 |
The Benzaldehyde, 2-hydroxy-4-(phenylmethoxy)-, with CAS registry number 52085-14-0, has the systematic name of 4-(benzyloxy)-2-hydroxybenzaldehyde. Besides this, it is also called Salicylaldehyde, 4-(benzyloxy)-(6CI,7CI). And the chemical formula of this chemical is C14H12O3.
Physical properties of Benzaldehyde, 2-hydroxy-4-(phenylmethoxy)-: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 241.53; (6)ACD/BCF (pH 7.4): 173.25; (7)ACD/KOC (pH 5.5): 1764.89; (8)ACD/KOC (pH 7.4): 1265.98; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 66.05 cm3; (15)Molar Volume: 184.2 cm3; (16)Polarizability: 26.18×10-24cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 149.9 °C; (20)Enthalpy of Vaporization: 66.54 kJ/mol; (21)Boiling Point: 390.9 °C at 760 mmHg; (22)Vapour Pressure: 1.14E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-benzyloxy-2-hydroxy-benzaldehyde. This reaction will need reagents AlCl3, NaI and solvent acetonitrile. The reaction time is 1 hour(s) with reaction temperature of 0 ℃. The yield is about 76%.
When you are using this chemical, please be cautious about it as the following:
The Benzaldehyde, 2-hydroxy-4-(phenylmethoxy)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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=Cc2ccc(OCc1ccccc1)cc2O
(2)InChI: InChI=1/C14H12O3/c15-9-12-6-7-13(8-14(12)16)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2
(3)InChIKey: AMLKEDBYDOCGEG-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H12O3/c15-9-12-6-7-13(8-14(12)16)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2
(5)Std. InChIKey: AMLKEDBYDOCGEG-UHFFFAOYSA-N