Basic Information | Post buying leads | Suppliers |
Name |
Benzoicacid, 2,4,5-triethoxy-, ethyl ester |
EINECS | N/A |
CAS No. | 170645-86-0 | Density | 1.063 g/cm3 |
PSA | 53.99000 | LogP | 3.05940 |
Solubility | N/A | Melting Point |
50-54 °C(lit.) |
Formula | C15H22O5 | Boiling Point | 395.3 °C at 760 mmHg |
Molecular Weight | 282.33 | Flash Point | 172.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl 2,4,5-triethoxybenzoate; |
The Benzoicacid, 2,4,5-triethoxy-, ethyl ester has the CAS registry number 170645-86-0. This chemical's molecular formula is C15H22O5 and molecular weight is 282.33. What's more, its systematic name is Ethyl 2,4,5-triethoxybenzoate.
Physical properties of Benzoicacid, 2,4,5-triethoxy-, ethyl ester are: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.96; (4)ACD/LogD (pH 7.4): 3.96; (5)ACD/BCF (pH 5.5): 606.3; (6)ACD/BCF (pH 7.4): 606.3; (7)ACD/KOC (pH 5.5): 3415.48; (8)ACD/KOC (pH 7.4): 3415.48; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 76.59 cm3; (15)Molar Volume: 265.3 cm3; (16)Polarizability: 30.36×10-24 cm3; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 1.063 g/cm3; (19)Flash Point: 172.9 °C; (20)Enthalpy of Vaporization: 64.54 kJ/mol; (21)Boiling Point: 395.3 °C at 760 mmHg; (22)Vapour Pressure: 1.86E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1c(OCC)cc(OCC)c(OCC)c1
(2)InChI: InChI=1/C15H22O5/c1-5-17-12-10-14(19-7-3)13(18-6-2)9-11(12)15(16)20-8-4/h9-10H,5-8H2,1-4H3
(3)InChIKey: ZEYJBLYNMNHZGJ-UHFFFAOYSA-N