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3,4-DIETHOXYBENZOIC ACID

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Name

3,4-DIETHOXYBENZOIC ACID

EINECS 226-478-2
CAS No. 5409-31-4 Density 1.148 g/cm3
PSA 55.76000 LogP 2.18220
Solubility N/A Melting Point 167-169 °C(lit.)
Formula C11H14O4 Boiling Point 330.2 °C at 760 mmHg
Molecular Weight 210.23 Flash Point 125.4 °C
Transport Information N/A Appearance white to off-white amorphous powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5409-31-4 (3,4-Diethoxybenzoic acid) Hazard Symbols Xi
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;

Article Data 18

3,4-DIETHOXYBENZOIC ACID Chemical Properties

 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 

3,4-DIETHOXYBENZOIC ACID Uses

 3,4-Diethoxybenzoic acid (5409-31-4) is commonly used as pharmaceutical intermediate.

3,4-DIETHOXYBENZOIC ACID Safety Profile

Hazard Codes:  Xi
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

3,4-DIETHOXYBENZOIC ACID 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)

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