4-Ethylcinnamic acid

Base Information

• Chemical Name: 4-Ethylcinnamic acid
• CAS No.: 28784-98-7
• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.215
• Hs Code.: 2916399090
• European Community (EC) Number: 608-248-7
• Nikkaji Number: J1.741.313I
• Mol file: 28784-98-7.mol

Synonyms:4-Ethylcinnamic acid;28784-98-7;(2E)-3-(4-ethylphenyl)acrylic acid;(2E)-3-(4-ethylphenyl)prop-2-enoic acid;120680-98-0;3-(4-ethylphenyl)acrylic acid;(E)-3-(4-ETHYLPHENYL)ACRYLIC ACID;(E)-3-(4-ethylphenyl)prop-2-enoic acid;4-ETHYLCINNAMICACID;SCHEMBL309763;SCHEMBL765933;MFCD02244465;STK425807;AKOS000263640;NCGC00330007-01;AS-62748;(E)-3-(4-ETHYLPHENYL)ACRYLICACID;CS-0450224;EN300-13521;D86907;EN300-832928;AB01323758-02;10R-0618;J-017258;Z2942851866

Chemical Property of 4-Ethylcinnamic acid

Chemical Property:

• Vapor Pressure: 0.000225mmHg at 25°C
• Refractive Index: 1.589
• Boiling Point: 312.5°C at 760 mmHg
• Flash Point: 217.3°C
• PSA: 37.30000
• Density: 1.116g/cm³
• LogP: 2.34680
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

4-Ethylcinnamicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C=CC(=O)O
• Isomeric SMILES: CCC1=CC=C(C=C1)/C=C/C(=O)O

Technology Process of 4-Ethylcinnamic acid

There total 4 articles about 4-Ethylcinnamic 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: 96.6%

→ 4-ethylcinnamic acid (120680-98-0,28784-98-7)

Guidance literature:

Reference yield:

malonic acid (141-82-2) + 4-ethylbenzylaldehyde (4748-78-1) → 4-ethylcinnamic acid (120680-98-0,28784-98-7)

Guidance literature:

With piperidine; pyridine; at 60 - 120 ℃;

DOI:10.1002/ardp.201000309

Reference yield:

ethyl 3‐(4‐ethylphenyl)acrylate (198341-20-7) → 4-ethylcinnamic acid (120680-98-0,28784-98-7)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; water; for 1h; Reflux;

upstream raw materials:

malonic acid

4-ethylbenzylaldehyde

ethyl 3‐(4‐ethylphenyl)acrylate

Downstream raw materials:

3-(4-ethyl-phenyl)-propionic acid

C₁₁H₁₆N₂O₂

C₁₁H₁₁ClO