METHYL 4-N-OCTYLOXYBENZOATE

This chemical is called Benzoic acid, 4-(octyloxy)-, methyl ester, and its CAS registry number is 62435-37-4. With the molecular formula of C₁₆H₂₄O₃, its molecular weight is 264.36. Additionally, its product categories are Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates.

Other characteristics of the Benzoic acid, 4-(octyloxy)-, methyl ester can be summarised as followings: (1)ACD/LogP: 5.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.99; (4)ACD/LogD (pH 7.4): 5.99; (5)ACD/BCF (pH 5.5): 20988.53; (6)ACD/BCF (pH 7.4): 20988.53; (7)ACD/KOC (pH 5.5): 43177.81; (8)ACD/KOC (pH 7.4): 43177.81; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 77.13 cm³; (15)Molar Volume: 266.8 cm³; (16)Polarizability: 30.57×10^-24cm³; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 151.4 °C; (20)Enthalpy of Vaporization: 60.85 kJ/mol; (21)Boiling Point: 362.5 °C at 760 mmHg; (22)Vapour Pressure: 1.92E-05 mmHg at 25°C.

Production method of this chemical: The Benzoic acid, 4-(octyloxy)-, methyl ester could be obtained by the reactants of 4-hydroxy-benzoic acid methyl ester and 1-bromo-octane. This reaction needs the reagent of K₂CO₃, and the solvent of acetone. The yield is 94 %. In addition, this reaction should be taken for 24 hours.

Uses of this chemical: The 4-octyloxy-benzoic acid hydrazide could be obtained by the reactant of Benzoic acid, 4-(octyloxy)-, methyl ester. This reaction needs the reagent of 80percent aq. hydrazine hydrate, and the solvent of ethanol. The yield is 67 %. This reaction should be taken for 8 hours.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OC)c1ccc(OCCCCCCCC)cc1
2.InChI: InChI=1/C16H24O3/c1-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18-2/h9-12H,3-8,13H2,1-2H3
3.InChIKey: JCVLYBQFVTYGKT-UHFFFAOYAR