2-Ethylbenzoic acid

Base Information

• Chemical Name: 2-Ethylbenzoic acid
• CAS No.: 612-19-1
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 29163900
• European Community (EC) Number: 628-131-4
• DSSTox Substance ID: DTXSID70901712
• Nikkaji Number: J134.745D
• Mol file: 612-19-1.mol

Synonyms:2-Ethylbenzoic acid;612-19-1;Benzoic acid, ethyl-;2-Ethyl-benzoic acid;28134-31-8;MFCD00045838;O-ETHYLBENZOIC ACID;2-Ethylbenzoicacid;Benzoic acid, 2-ethyl-;2-Ethylbenzoicacidethylester;ethylbenzoic acid;benzoic acid,2-ethyl-;2-Ethylbenzoic acid, 97%;SCHEMBL28115;DTXSID70901712;CGMMPMYKMDITEA-UHFFFAOYSA-N;AMY14281;AKOS009156904;CS-W004346;PS-3899;SY014274;A8093;E1347;FT-0632551;EN300-110064;A833105;AE-562/43460169;J-509326;Z979777146;102606-33-7

Chemical Property of 2-Ethylbenzoic acid

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 0.000857mmHg at 25°C
• Melting Point: 62-66 °C(lit.)
• Refractive Index: 1.53 (589.3 nm 20℃)
• Boiling Point: 259.713 °C at 760 mmHg
• PKA: pK1:3.79 (25°C)
• Flash Point: 120.812 °C
• PSA: 37.30000
• Density: 1.114 g/cm³
• LogP: 1.94720
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Ethylbenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: CCC1=CC=CC=C1C(=O)O
• Uses: 2-Ethylbenzoic acid has been employed:as substrate for microbial asymmetric synthesis of (S)-3-methylphthalidein synthesis of γ-lactones and bis(2-ethylbenzoyl)peroxide

Technology Process of 2-Ethylbenzoic acid

There total 47 articles about 2-Ethylbenzoic 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: 85.0%

ortho-methylbenzoic acid (118-90-1) + methyl iodide (74-88-4) → 2-ethylbenzoic acid (612-19-1)

Guidance literature:

With sec.-butyllithium; In cyclohexane; for 8h; Ambient temperature;

Reference yield: 84.0%

o-ethylbenzonitrile (34136-59-9) → 2-ethylbenzoic acid (612-19-1)

Guidance literature:

With potassium hydroxide; In ethylene glycol; at 170 ℃; for 6.5h;

Reference yield: 80.0%

2-ethyl-benzoic acid N',N'-dimethyl-hydrazide → 2-ethylbenzoic acid (612-19-1)

Guidance literature:

With periodic acid;

DOI:10.1016/S0040-4039(00)00462-7

upstream raw materials:

2-acetyl-benzoic acid

o-ethylbenzonitrile

3-methylphthalide

2-trichlorovinyl-benzoic acid

Downstream raw materials:

1-(2-ethylphenyl)ethanone

ethyl ester of ortho-ethylbenzoic acid

o-ethylbenzonitrile

(2-ethylphenyl)methanol

Refernces

• 1、 Dippy et al.. "". . p. 1470,1471. Retrieved 1954.
• 2、 Inoa, Joan,Patel, Mansi,Dominici, Grecia,Eldabagh, Reem,Patel, Anjali,Lee, John,Xing, Yalan. "Benzylic Hydroperoxidation via Visible-Light-Induced Csp3-H Activation". . p. 6181 - 6187. Retrieved 2020/05/22.
• 3、 Zhang, Bao,Yang, Xiaojing,Li, Jun,Cheng, Gang. "Selective aerobic oxidation of alkyl aromatics on Bi2MoO6 nanoplates decorated with Pt nanoparticles under visible light irradiation". supporting information. p. 12194 - 12197. Retrieved 2018/11/21.