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4-Propoxybenzoic acid

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Name

4-Propoxybenzoic acid

EINECS N/A
CAS No. 5438-19-7 Density 1.133 g/cm3
PSA 46.53000 LogP 2.17360
Solubility insoluble in water Melting Point 144-146 °C(lit.)
Formula C10H12O3 Boiling Point 304.9 °C at 760 mmHg
Molecular Weight 180.203 Flash Point 119.3 °C
Transport Information N/A Appearance White to light yellow crystal powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5438-19-7 (4-Propoxybenzoic acid) Hazard Symbols IrritantXi
Synonyms

Benzoicacid, p-propoxy- (6CI,7CI,8CI);NSC 16632;p-(n-Propoxy)benzoic acid;p-Propoxybenzoic acid;

Article Data 151

4-Propoxybenzoic acid Synthetic route

115478-59-6

methyl 4-propoxy benzoate

5438-19-7

4-propoxybenzoic acid

Conditions
ConditionsYield
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
5736-85-6

4-propoxybenzaldehyde

5438-19-7

4-propoxybenzoic acid

Conditions
ConditionsYield
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;
27914-60-9

4-allyloxybenzoic acid

A

5438-19-7

4-propoxybenzoic acid

B

99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
With potassium hydroxide In methanol at 20℃; for 10h;A 3%
B 82%
99-96-7

4-hydroxy-benzoic acid

propyl halide

propyl halide

5438-19-7

4-propoxybenzoic acid

Conditions
ConditionsYield
With potassium hydroxide In ethanol Heating;80%
With potassium hydroxide In methanol
With potassium hydroxide In methanol Reflux;
In methanol
106-94-5

propyl bromide

99-96-7

4-hydroxy-benzoic acid

5438-19-7

4-propoxybenzoic acid

Conditions
ConditionsYield
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;
71-23-8

propan-1-ol

p-carboxybenzene diazonium nitrate

5438-19-7

4-propoxybenzoic acid

622-85-5

propoxybenzene

463-72-9

carbamic chloride

5438-19-7

4-propoxybenzoic acid

Conditions
ConditionsYield
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
ConditionsYield
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
106-94-5

propyl bromide

99-76-3

methyl 4-hydroxylbenzoate

5438-19-7

4-propoxybenzoic acid

Conditions
ConditionsYield
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
ConditionsYield
In ethanol Heating;

4-Propoxybenzoic acid 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%. 
Benzoic acid,4-propoxy- can be prepared by 4-allyloxy-benzoic acid, and the other product is 4-hydroxy-benzoic acid

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

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