3-METHOXY-4-PROPOXY-BENZALDEHYDE

The Benzaldehyde,3-methoxy-4-propoxy- is an organic compound with the formula C₁₁H₁₄O₃. Its CAS registry number is 57695-98-4. The IUPAC name of this chemical is 3-Methoxy-4-propoxybenzaldehyde. In addition, the molecular weight is 194.23. This chemical is irritanting and may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzaldehyde,3-methoxy-4-propoxy- are: (1)ACD/LogP: 2.68 ; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 63.5; (6)ACD/BCF (pH 7.4): 63.5; (7)ACD/KOC (pH 5.5): 679.28; (8)ACD/KOC (pH 7.4): 679.28; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53Ų; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 55.62 cm³; (15)Molar Volume: 182.1 cm³; (16)Polarizability: 22.05×10^-24 cm³; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 1.066 g/cm³; (19)Flash Point: 129 °C; (20)Enthalpy of Vaporization: 54.5 kJ/mol; (21)Boiling Point: 304.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000862 mmHg at 25 °C.

Uses of Benzaldehyde,3-methoxy-4-propoxy-: it can be used to produce other chemicals. For example, it is used to produce 3-(3-methoxy-4-propoxy-phenyl)-thioacrylamide with thioacetamide. The reaction occurs with reagent Na and solvent ethanol at 0-5 °C for 40 hours. The yield is 80 %. The reaction equation is as followed:

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(OC)c(OCCC)cc1
(2) InChI: InChI=1/C11H14O3/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h4-5,7-8H,3,6H2,1-2H3
(3) InChIKey: YUWQIFGCZPFOAL-UHFFFAOYAO