Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Ethoxy-4-phenylmethoxy-benzaldehyde |
EINECS | N/A |
CAS No. | 60186-33-6 | Density | 1.132 g/cm3 |
PSA | 35.53000 | LogP | 3.47680 |
Solubility | N/A | Melting Point |
56-58°C |
Formula | C16H16O3 | Boiling Point | 405.1 °C at 760 mmHg |
Molecular Weight | 256.301 | Flash Point | 190.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 43 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Benzyloxy-3-ethoxybenzaldehyde; |
Article Data | 5 |
The 3-ethoxy-4-phenylmethoxy-benzaldehyde, with CAS registry number 60186-33-6, has the systematic name of 4-(benzyloxy)-3-ethoxybenzaldehyde. And the chemical formula of this chemical is C16H16O3. Its molecular weight is 256.3.
Physical properties of 3-Ethoxy-4-phenylmethoxy-benzaldehyde: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 453.99; (6)ACD/BCF (pH 7.4): 453.99; (7)ACD/KOC (pH 5.5): 2776.63; (8)ACD/KOC (pH 7.4): 2776.63; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 75.48 cm3; (15)Molar Volume: 226.3 cm3; (16)Polarizability: 29.92×10-24cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 190.4 °C; (20)Enthalpy of Vaporization: 65.66 kJ/mol; (21)Boiling Point: 405.1 °C at 760 mmHg; (22)Vapour Pressure: 8.99E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2cc(OCC)c(OCc1ccccc1)cc2
(2)InChI: InChI=1/C16H16O3/c1-2-18-16-10-14(11-17)8-9-15(16)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
(3)InChIKey: NCOFQZRLIYPMNJ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H16O3/c1-2-18-16-10-14(11-17)8-9-15(16)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
(5)Std. InChIKey: NCOFQZRLIYPMNJ-UHFFFAOYSA-N