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CAS No.: | 134-11-2 |
---|---|
Name: | 2-Ethoxybenzoic acid |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | Benzoicacid, o-ethoxy- (6CI,7CI,8CI);NSC 406710;o-Ethoxybenzoic acid; |
EINECS: | 205-130-3 |
Density: | 1.166 g/cm3 |
Melting Point: | 19.3-19.5 °C(lit.) |
Boiling Point: | 301.3 °C at 760 mmHg |
Flash Point: | 117.8 °C |
Solubility: | Soluble in water. |
Appearance: | Pale yellow low melting solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 23-24/25 |
PSA: | 46.53000 |
LogP: | 1.78350 |
Conditions | Yield |
---|---|
Stage #1: diethyl sulfate; methyl salicylate With potassium hydroxide In ethanol at 15℃; for 6h; Large scale; Stage #2: With water; sodium hydroxide at 65℃; for 6h; Temperature; Large scale; | 98.31% |
2-ethoxybenzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 80℃; for 10h; | 81% |
With sodium hydroxide In ethanol at 80℃; for 8h; | 80% |
With sodium hydroxide In ethanol at 80℃; for 8h; Temperature; Schlenk technique; | 80% |
Conditions | Yield |
---|---|
Stage #1: ethyl 2-ethoxybenzoate With potassium tert-butylate In dimethyl sulfoxide at 70℃; for 2h; Stage #2: With hydrogenchloride; water In dimethyl sulfoxide at 0 - 10℃; | 80% |
With barium dihydroxide | |
With water |
Conditions | Yield |
---|---|
With phthalic anhydride; silica gel microwave irradiation; | 75% |
Conditions | Yield |
---|---|
With potassium carbonate |
sodium ethanolate
A
1-(4-ethoxy-2-hydroxyphenyl)ethanone
B
4-ethoxy-2-hydroxybenzoic acid
C
2-ethoxybenzoic acid
Conditions | Yield |
---|---|
Stage #1: diethyl sulfate; methyl salicylate With potassium hydroxide In ethanol at 15℃; for 6h; Large scale; Stage #2: With water; sodium hydroxide at 65℃; for 6h; Temperature; Large scale; | 98.31% |
2-ethoxybenzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 80℃; for 10h; | 81% |
With sodium hydroxide In ethanol at 80℃; for 8h; | 80% |
With sodium hydroxide In ethanol at 80℃; for 8h; Temperature; Schlenk technique; | 80% |
Conditions | Yield |
---|---|
Stage #1: ethyl 2-ethoxybenzoate With potassium tert-butylate In dimethyl sulfoxide at 70℃; for 2h; Stage #2: With hydrogenchloride; water In dimethyl sulfoxide at 0 - 10℃; | 80% |
With barium dihydroxide | |
With water |
Conditions | Yield |
---|---|
With phthalic anhydride; silica gel microwave irradiation; | 75% |
The 2-Ethoxybenzoic acid, with the CAS registry number 134-11-2, is also known as o-Ethoxybenzoic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid Derivative; Organic Acids; Heterocyclic Compounds; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates. Its EINECS registry number is 205-130-3. This chemical's molecular formula is C9H10O3 and molecular weight is 166.17. Its IUPAC name is called 2-ethoxybenzoic acid. What's more, this chemical can be used in organic synthesis.
Physical properties of 2-Ethoxybenzoic acid: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 0.72; (3)ACD/LogD (pH 7.4): -0.84; (4)ACD/BCF (pH 5.5): 1.01; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.97; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.537; (12)Molar Refractivity: 44.49 cm3; (13)Molar Volume: 142.4 cm3; (14)Surface Tension: 43.4 dyne/cm; (15)Density: 1.166 g/cm3; (16)Flash Point: 117.8 °C; (17)Enthalpy of Vaporization: 57.17 kJ/mol; (18)Boiling Point: 301.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000472 mmHg at 25°C.
Uses of 2-Ethoxybenzoic acid: it can be used to produce 2-hydroxy-benzoic acid at temperature of 150 °C. This reaction is a kind of Substitution. It will need reagent piperazine and solvent N,N-dimethyl-acetamide with reaction time of 12 hours. The yield is about 74%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC1=CC=CC=C1C(=O)O
(2)InChI: InChI=1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
(3)InChIKey: XDZMPRGFOOFSBL-UHFFFAOYSA-N