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| CAS No.: | 5409-31-4 |
|---|---|
| Name: | 3,4-Diethoxybenzoic acid |
| Molecular Structure: | |
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| Formula: | C11H14O4 |
| Molecular Weight: | 210.23 |
| Synonyms: | 3,4-Diethoxy Benzoic Acid;3,4-diethoxybenzoate;1/C11H14O4/c1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13; |
| EINECS: | 226-478-2 |
| Density: | 1.148 g/cm3 |
| Melting Point: | 167-169 °C(lit.) |
| Boiling Point: | 330.2 °C at 760 mmHg |
| Flash Point: | 125.4 °C |
| Appearance: | white to off-white amorphous powder |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 55.76000 |
| LogP: | 2.18220 |
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Chemistry
3,4-Diethoxybenzoic acid (5409-31-4) is also named as Benzoic acid, 3,4-diethoxy- ; AKOS B000155 ; AKOS BBS-00006478 ; Benzoic acid, 3,4-diethoxy- ; AKOS B000155 ; AKOS BBS-00006478 ; NSC8515 ; 221597_ALDRICH ; ALBB-000942 ; CID79417 ; NSC10903 ,and so on. 3,4-Diethoxybenzoic acid (5409-31-4) is white to off-white amorphous powder.
IUPAC Name: 3,4-Diethoxybenzoic acid
CAS: 5409-31-4
Molecular Formula: C11H14O4
Molecular Weight: 210.23
Molecular structure: 
EINECS: 226-478-2
ACD/LogD (pH 5.5): 1.92
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 5.5): 9.01
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 79.78
ACD/KOC (pH 7.4): 1.84
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 5
Index of Refraction: 1.521
Molar Refractivity: 55.8 cm3
Molar Volume: 182.9 cm3
Polarizability: 22.12 10-24cm3
Surface Tension: 40.7 dyne/cm
Density: 1.148 g/cm3
Flash Point: 125.4 °C
Enthalpy of Vaporization: 60.46 kJ/mol
Boiling Point: 330.2 °C at 760 mmHg
Vapour Pressure: 6.78E-05 mmHg at 25°C
Uses
3,4-Diethoxybenzoic acid (5409-31-4) is commonly used as pharmaceutical intermediate.
Safety Profile
Hazard Codes: Xi .gif){kind=small}
Risk Statements: 36/37/38 (36/37/38: Irritating to eyes, respiratory system and skin)
Safety Statements: 24/25 (24/25: Avoid contact with skin and eyes)
WGK Germany: 3
Specification
Removal in wastewater treatment of 3,4-Diethoxybenzoic acid (5409-31-4) can be stated as follows:
Total removal:2.78 percent
Total biodegradation:0.10 percent
Total sludge adsorption:2.68 percent
Total to Air:0.00 percent
(using 10000 hr Bio P,A,S)