3-Benzyloxy-5-isopropoxybenzoic acid supplier

Name
3-[(1-Methylethyl)oxy]-5-[(phenylmethyl)oxy]benzoic acid
EINECS
CAS No. 852520-53-7
Article Data9
CAS DataBase
Density 1.173 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₈O₄
Boiling Point 459.9 °C at 760 mmHg
Molecular Weight 286.328
Flash Point 167.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-[(1-Methylethyl)oxy]-5-[(phenylmethyl)oxy]benzoic acid;
PSA 55.76000
LogP 3.75100

3-Benzyloxy-5-isopropoxybenzoic acid Specification

This chemical is called 3-Benzyloxy-5-isopropoxybenzoic acid, and its systematic name is benzoic acid, 3-(1-methylethoxy)-5-(phenylmethoxy)-. With the molecular formula of C₁₇H₁₈O₄, its molecular weight is 286.32. In addition, its CAS registry number is 852520-53-7.

Other characteristics of the 3-Benzyloxy-5-isopropoxybenzoic acid can be summarised as followings: (1)ACD/LogP: 4.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 48.53; (6)ACD/BCF (pH 7.4): 1.83; (7)ACD/KOC (pH 5.5): 203.29; (8)ACD/KOC (pH 7.4): 7.66; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.76 Å²; (13)Index of Refraction: 1.571; (14) Molar Refractivity: 80.25 cm³; (15)Molar Volume: 244 cm³; (16)Polarizability: 31.81×10^-24cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.173 g/cm³; (19)Flash Point: 167.7 °C; (20)Enthalpy of Vaporization: 75.92 kJ/mol; (21)Boiling Point: 459.9 °C at 760 mmHg; (22)Vapour Pressure: 2.97E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)Oc1cc(cc(c1)OCc2ccccc2)C(=O)O
(2)InChI: InChI=1/C17H18O4/c1-12(2)21-16-9-14(17(18)19)8-15(10-16)20-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,18,19)
(3)InChIKey: YHRXMGQEVPNUIL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C17H18O4/c1-12(2)21-16-9-14(17(18)19)8-15(10-16)20-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,18,19)
(5)Std. InChIKey: YHRXMGQEVPNUIL-UHFFFAOYSA-N

Product Name

3-[(1-Methylethyl)oxy]-5-[(phenylmethyl)oxy]benzoic acid

3-Benzyloxy-5-isopropoxybenzoic acid Specification

Related Products

Hot Products