Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Benzyloxy-3-methoxybenzoic acid |
EINECS | N/A |
CAS No. | 1486-53-9 | Density | 1.225 g/cm3 |
PSA | 55.76000 | LogP | 2.97240 |
Solubility | N/A | Melting Point |
171-172 °C |
Formula | C15H14O4 | Boiling Point | 416.6 °C at 760 mmHg |
Molecular Weight | 258.274 | Flash Point | 156 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzoicacid, 4-(benzyloxy)-3-methoxy- (6CI,7CI);4-Benzyloxy-3-methoxybenzoic acid;NSC 16714;O-Benzylvanillic acid; |
Article Data | 49 |
The Benzoic acid,3-methoxy-4-(phenylmethoxy)- is an organic compound with the formula C15H14O4. The systematic name of this chemical is 4-(Benzyloxy)-3-methoxybenzoic acid. With the CAS registry number 1486-53-9, it is also named as 3-Methoxy-4-benzyloxy benzoic acid. The product's categories are Aromatic Esters; Pharmacetical. Besides, its molecular weight is 258.27.
Physical properties about Benzoic acid,3-methoxy-4-(phenylmethoxy)- are: (1)ACD/LogP: 3.65; (2)ACD/LogD (pH 5.5): 2.47; (3)ACD/LogD (pH 7.4): 0.85; (4)ACD/BCF (pH 5.5): 22.96; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 151.45; (7)ACD/KOC (pH 7.4): 3.64; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 44.76 Å2; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 71.02 cm3; (14)Molar Volume: 210.6 cm3; (15)Polarizability: 28.15×10-24 cm3; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.225 g/cm3; (18)Flash Point: 156 °C; (19)Enthalpy of Vaporization: 70.63 kJ/mol; (20)Boiling Point: 416.6 °C at 760 mmHg; (21)Vapour Pressure: 1.1E-07 mmHg at 25 °C.
Preparation: this chemical can be prepared by 4-Benzyloxy-3-methoxy-benzaldehyde. This reaction will need reagents CrO3; AcOH. The reaction time is 1 hour. The yield is about 85%.
Uses of Benzoic acid,3-methoxy-4-(phenylmethoxy)-: it can be used to produce 4-Benzyloxy-5-methoxy-2-nitrobenzoic acid at temperature of -25 °C. It will need reagents SnCl4; HNO3 and solvent CH2Cl2 with reaction time of 5 min. The yield is about 83%.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H14O4/c1-18-14-9-12(15(16)17)7-8-13(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
(2)InChIKey: JGMBQAGNZLBZCE-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C15H14O4/c1-18-14-9-12(15(16)17)7-8-13(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
(4)Std. InChIKey: JGMBQAGNZLBZCE-UHFFFAOYSA-N