4-Ethoxybenzoic acid

Base Information

• Chemical Name: 4-Ethoxybenzoic acid
• CAS No.: 619-86-3
• Molecular Formula: C9H10 O3
• Molecular Weight: 166.177
• Hs Code.: 2918990090
• European Community (EC) Number: 210-616-3
• NSC Number: 8705
• UNII: TZR23XEQ7W
• DSSTox Substance ID: DTXSID2060709
• Nikkaji Number: J26.915H
• Wikidata: Q27290499
• ChEMBL ID: CHEMBL324769
• Mol file: 619-86-3.mol

Synonyms:4-ETHOXYBENZOIC ACID;619-86-3;p-Ethoxybenzoic acid;Benzoic acid, 4-ethoxy-;4-EthoxybenzoicAcid;Benzoic acid, p-ethoxy-;4-Ethoxy-benzoic acid;UNII-TZR23XEQ7W;MFCD00002545;TZR23XEQ7W;NSC 8705;NSC-8705;EINECS 210-616-3;AI3-20152;4ethoxybenzoic acid;4-ethoxy benzoic acid;para-Ethoxybenzoic acid;1-carboxy-4-ethoxybenzene;4-Ethoxybenzoic acid, 99%;SCHEMBL177390;CHEMBL324769;DTXSID2060709;NSC8705;STK397793;4-ethoxybenzoate;4-Ethoxybenzoic acid;AKOS000119552;CS-W010810;PS-5022;SY022932;E0045;FT-0618382;EN300-16736;A833520;AH-034/32461045;W-105062;Q27290499;Z56759338;F3034-0323;81J

Chemical Property of 4-Ethoxybenzoic acid

Chemical Property:

• Appearance/Colour: White solid.
• Vapor Pressure: 0.000907mmHg at 25°C
• Melting Point: 197-199 ºC
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 291.2oC at 760 mmHg
• PKA: 4.49±0.10(Predicted)
• Flash Point: 117.1oC
• PSA: 46.53000
• Density: 1.166g/cm3
• LogP: 1.78350
• Storage Temp.: Store below +30°C.
• Solubility.: almost transparency in hot Methanol
• Water Solubility.: 583mg/L at 25℃
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98% ^*data from raw suppliers

4-Ethoxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25-25-24

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(=O)O
• Uses: Intermediates of Liquid Crystals 4-Ethoxybenzoic acid was used to prepare highly conducting and flexible few-walled carbon nanotube thin films.

Technology Process of 4-Ethoxybenzoic acid

There total 83 articles about 4-Ethoxybenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

(4-ethoxybenzyl)trimethylsilane → 4-(ethoxy)benzoic acid (619-86-3)

Guidance literature:

With hydrogen bromide; oxygen; In acetonitrile; at 25 ℃; for 4h; Time;

Reference yield: 93.0%

ethyl bromide (74-96-4) + 4-hydroxy-benzoic acid (99-96-7) → 4-(ethoxy)benzoic acid (619-86-3)

Guidance literature:

With n-Bu₄POH; In tetrahydrofuran; water; at 0 - 20 ℃;

DOI:10.1016/j.tetlet.2007.08.030

Reference yield: 93.0%

4'-ethoxyacetophenone (1676-63-7) → 4-(ethoxy)benzoic acid (619-86-3)

Guidance literature:

With copper(l) iodide; hydroxylamine hydrochloride; oxygen; In dimethyl sulfoxide; at 100 ℃; for 8h;

DOI:10.1039/c5ob01569c

upstream raw materials:

ethanol

1-ethoxy-4-methylbenzene

1-(4-ethoxyphenyl)propan-1-one

2,2-bis-(4-ethoxy-phenyl)-1,1,1-tribromo-ethane

Downstream raw materials:

4-ethoxy-3-(1,2,2,2-tetrachloro-ethyl)-benzoic acid

3-Bromo-4-ethoxybenzoic Acid

2,4-dinitro-1-ethoxybenzene

4-ethoxybenzoylchloride

Refernces

• 1、 Dwivedi, Durgesh J.,Thakor, Akshay,Desai, Vipul,Sharma, Vinay S.,Patel. "Synthesis, mesomorphic properties and biological evolution of calamitic-shaped chalcone-based LCs: effect of lateral and terminal group". . p. 16 - 32. Retrieved 2021/05/26.
• 2、 Duan, Yongtao,Koshti, Rohit R.,Kumar Ameta, Rakesh,Patel, H. N.,Sangani, Chetan B.,Tarpada, Umesh P.,Vyas, Akshay,Yao, Yongfang. "λ-shaped to T-shaped azo diester mesogens having methyl (–CH3)/methoxy(–OCH3) terminal substituents with trisubstituted benzene". . . Retrieved 2021/07/12.