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| CAS No.: | 5438-19-7 |
|---|---|
| Name: | 4-Propoxybenzoic acid |
| Article Data: | 151 |
| Molecular Structure: | |
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|
|
| Formula: | C10H12O3 |
| Molecular Weight: | 180.203 |
| Synonyms: | Benzoicacid, p-propoxy- (6CI,7CI,8CI);NSC 16632;p-(n-Propoxy)benzoic acid;p-Propoxybenzoic acid; |
| Density: | 1.133 g/cm3 |
| Melting Point: | 144-146 °C(lit.) |
| Boiling Point: | 304.9 °C at 760 mmHg |
| Flash Point: | 119.3 °C |
| Solubility: | insoluble in water |
| Appearance: | White to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 46.53000 |
| LogP: | 2.17360 |
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- 115478-59-6
methyl 4-propoxy benzoate
- 5438-19-7
4-propoxybenzoic acid
| Conditions | Yield |
|---|---|
| Stage #1: methyl 4-propoxy benzoate With sodium hydroxide In methanol at 60 - 65℃; for 3h; Stage #2: With hydrogenchloride In methanol; water | 98.9% |
| With alkali |
| Conditions | Yield |
|---|---|
| Stage #1: 4-propoxybenzaldehyde In water; acetonitrile at 5℃; for 0.25h; Stage #2: With potassium permanganate In water; acetonitrile at 20℃; for 2h; | 89% |
| With potassium permanganate; sodium dihydrogenphosphate; ammonium cerium (IV) nitrate In water at 20℃; for 3h; |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol at 20℃; for 10h; | A 3% B 82% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol Heating; | 80% |
| With potassium hydroxide In methanol | |
| With potassium hydroxide In methanol Reflux; | |
| In methanol |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol; water for 15h; Reflux; | 70% |
| With potassium hydroxide | |
| With potassium hydroxide; Aliquat 336 1.) 80 deg C, 24 h; 2.) ethanol, 80 deg C, 24 h; Multistep reaction; |
| Conditions | Yield |
|---|---|
| With carbon disulfide; aluminium trichloride durch Verseifen des entstandenen Amids mit NaNO2 in verd. Schwefelsaeure; |
- 100256-94-8
4-propoxy-benzoic acid ethyl ester
- 5438-19-7
4-propoxybenzoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide | |
| With potassium hydroxide | |
| With potassium hydroxide In ethanol Hydrolysis; | |
| Stage #1: 4-propoxy-benzoic acid ethyl ester With sodium hydroxide In ethanol at 20℃; for 3h; Stage #2: With hydrogenchloride; water In ethanol pH=1; | |
| With ethanol; sodium hydroxide |
| Conditions | Yield |
|---|---|
| With potassium carbonate; butanone Erwaermen des Reaktionsprodukts mit methanol. Kalilauge; | |
| With hydrogenchloride; potassium hydroxide; sodium hydroxide In ethanol; water; dimethyl sulfoxide | |
| With potassium carbonate In acetone for 48h; Reflux; | 2.20 g |
- 106-94-5
propyl bromide
- 16782-08-4
sel de potassium de l'acide p-hydroxybenzoique
- 5438-19-7
4-propoxybenzoic acid
| Conditions | Yield |
|---|---|
| In ethanol Heating; |
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Specification
The Benzoic acid,4-propoxy-, with the CAS registry number 5438-19-7, has the systmatic name of 4-propoxybenzoic acid. And the molecular formula of this chemical is C10H12O3. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Organic acids; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Benzoic Acids (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Building blockCarbonyl Compounds; C10; Carboxylic Acids; Liquid Crystals; Organic Electronics and Photonics. What's more, it is used as the intermediates of liquid crystals.
The physical properties of Benzoic acid,4-propoxy- are as following: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 10.35; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 93.1; (8)ACD/KOC (pH 7.4): 2.02; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 49.12 cm3; (15)Molar Volume: 158.9 cm3; (16)Polarizability: 19.47×10-24cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.133 g/cm3; (19)Flash Point: 119.3 °C; (20)Enthalpy of Vaporization: 57.58 kJ/mol; (21)Boiling Point: 304.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000372 mmHg at 25°C.
Preparation of Benzoic acid,4-propoxy-: This chemical can be prepared by 4-allyloxy-benzoic acid, and the other product is 4-hydroxy-benzoic acid. The reaction will need reagent KOH, and the solvent methanol. The reaction time is 10 hours with temperature of 20°C, and the yield is about 82%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(OCCC)cc1
(2)InChI: InChI=1/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
(3)InChIKey: GDFUWFOCYZZGQU-UHFFFAOYAE