Benzoicacid, 2,4,5-triethoxy-, ethyl ester supplier

Name
ETHYL 2 4 5-TRIETHOXYBENZOATE 97
EINECS
CAS No. 170645-86-0
Density 1.063 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 2,4,5-triethoxybenzoate;
PSA 53.99000
LogP 3.05940

Benzoicacid, 2,4,5-triethoxy-, ethyl ester Specification

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^-24cm³; (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

Product Name

ETHYL 2 4 5-TRIETHOXYBENZOATE 97

Benzoicacid, 2,4,5-triethoxy-, ethyl ester Specification

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