3-(4-octoxyphenyl)prop-2-enoic Acid

Base Information

• Chemical Name: 3-(4-octoxyphenyl)prop-2-enoic Acid
• CAS No.: 55379-97-0
• Molecular Formula: C17H24O3
• Molecular Weight: 276.376
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50385273
• Mol file: 55379-97-0.mol

Synonyms:3-(4-octoxyphenyl)prop-2-enoic Acid;p-n-octyloxy cinnamic acid;DTXSID50385273;AKOS017269261

Chemical Property of 3-(4-octoxyphenyl)prop-2-enoic Acid

Chemical Property:

• Vapor Pressure: 4.83E-08mmHg at 25°C
• Melting Point: 167-168 °C
• Refractive Index: 1.538
• Boiling Point: 426.7 °C at 760 mmHg
• Flash Point: 150 °C
• PSA: 46.53000
• Density: 1.044 g/cm³
• LogP: 4.52370
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 276.17254462
• Heavy Atom Count: 20
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

4-(Octyloxy)cinnamicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC=C(C=C1)C=CC(=O)O

Technology Process of 3-(4-octoxyphenyl)prop-2-enoic Acid

There total 13 articles about 3-(4-octoxyphenyl)prop-2-enoic 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:

malonic acid (141-82-2) + 4-octyloxybenzaldehyde (24083-13-4) → 4-octyloxycinnamic acid (55379-97-0)

Guidance literature:

Reference yield:

p-Coumaric Acid (7400-08-0,50940-26-6) → 4-octyloxycinnamic acid (55379-97-0)

Guidance literature:

With potassium hydroxide; In methanol; Reflux;

DOI:10.1080/15421406.2012.718228

Reference yield:

methyl 4-octyloxy-cinnamate (81609-53-2) → 4-octyloxycinnamic acid (55379-97-0)

Guidance literature:

With water; potassium hydroxide; for 4h; Reflux;

DOI:10.1080/10691316.2018.1541843

upstream raw materials:

malonic acid

4-octyloxybenzaldehyde

1-bromo-octane

4-hydroxy-benzaldehyde

Downstream raw materials:

4-n-Octyloxy-zimtsaeurechlorid

(E)-3-(4-Octyloxy-phenyl)-acrylic acid 4-formyl-phenyl ester

C₃₀H₃₈O₅

C₂₇H₃₂O₅

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