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Name |
Ethyl 3,4,5-trimethoxybenzoate |
EINECS | N/A |
CAS No. | 6178-44-5 | Density | 1.113 g/cm3 |
PSA | 53.99000 | LogP | 1.88910 |
Solubility | N/A | Melting Point |
54 °C |
Formula | C12H16 O5 | Boiling Point | 292 °C at 760 mmHg |
Molecular Weight | 240.256 | Flash Point | 123.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | R20/21/22; R36/37/38 |
Molecular Structure | Hazard Symbols | Xn,Xi | |
Synonyms |
Ethyl3,4,5-trimethoxybenzoate; NSC 26825 |
Article Data | 46 |
Molecule structure of Ethyl 3,4,5-trimethoxybenzoate (CAS NO.6178-44-5):
IUPAC Name: Ethyl 3,4,5-trimethoxybenzoate
Molecular Weight: 240.25244 [g/mol]
Molecular Formula: C12H16O5
Index of Refraction: 1.492
Molar Refractivity: 62.69 cm3
Molar Volume: 215.8 cm3
Surface Tension: 34.1 dyne/cm
Density: 1.113 g/cm3
Melting Point: 54 °C
Flash Point: 123.4 °C
Enthalpy of Vaporization: 53.14 kJ/mol
Boiling Point: 292 °C at 760 mmHg
Vapour Pressure: 0.00189 mmHg at 25 °C
XLogP3-AA: 2.1
H-Bond Acceptor: 5
Rotatable Bond Count: 6
Exact Mass: 240.099774
MonoIsotopic Mass: 240.099774
Topological Polar Surface Area: 54
Heavy Atom Count: 17
Canonical SMILES: CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI: InChI=1S/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3
InChIKey: UEOFNBCUGJADBM-UHFFFAOYSA-N
Product Categories: Aromatic Esters
Ethyl 3,4,5-trimethoxybenzoate (CAS NO.6178-44-5) is used as food additives and pharmaceutical intermediates.
Ethyl 3,4,5-trimethoxybenzoate (CAS NO.6178-44-5) is also named as Nenzoic acid, 3,4,5-trimethoxy-, ethyl ester ; 3,4,5-Trimethoxybenzoic acid ethyl ester ; Ethyl 3,4,5-trimethoxy benzoate ; Ethyl-3,4,5-trimethoxybenzoat .