3-Phenylpent-4-enal

Base Information

• Chemical Name: 3-Phenylpent-4-enal
• CAS No.: 939-21-9
• Molecular Formula: C11H12 O
• Molecular Weight: 160.216
• Hs Code.: 2912299000
• European Community (EC) Number: 213-356-9
• UNII: 8264F86R6A
• DSSTox Substance ID: DTXSID10862479
• Nikkaji Number: J298.538A
• Wikidata: Q27269312
• Metabolomics Workbench ID: 48337
• Mol file: 939-21-9.mol

Synonyms:3-Phenylpent-4-enal;3-PHENYL-4-PENTENAL;939-21-9;FEMA No. 3318;3-Phenyl-3-vinylpropionaldehyde;beta-Ethenylbenzenepropanal;beta-Vinylhydrocinnamaldehyde;Benzenepropanal, beta-ethenyl-;Hydrocinnamaldehyde, beta-vinyl-;UNII-8264F86R6A;Benzenepropanal, .beta.-ethenyl-;EINECS 213-356-9;8264F86R6A;4-Pentenal, 3-phenyl-;beta-Ethenyl-Benzenepropanal;beta-Vinyl-Hydrocinnamaldehyde;SCHEMBL2319050;FEMA 3318;DTXSID10862479;CHEBI:186784;.BETA.-ETHENYLBENZENEPROPANAL;3-PHENYL-4-PENTENAL [FHFI];.BETA.-VINYLHYDROCINNAMALDEHYDE;(+/-)-3-PHENYL-4-PENTENAL;HYDROCINNAMALDEHYDE, .BETA.-VINYL-;Q27269312

Chemical Property of 3-Phenylpent-4-enal

Chemical Property:

• Vapor Pressure: 0.0629mmHg at 25°C
• Boiling Point: 231.3°Cat760mmHg
• Flash Point: 100.4°C
• PSA: 17.07000
• Density: 0.971g/cm³
• LogP: 2.54520
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Phenylpent-4-enal

There total 23 articles about 3-Phenylpent-4-enal 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: 100.0%

(E)-[3-(vinyloxy)prop-1-en-1-yl]benzene (80816-24-6) → 3-phenyl-4-pentenal (939-21-9)

Guidance literature:

at 125 ℃; for 22h;

DOI:10.1016/S0040-4020(01)80849-8

Reference yield: 91.0%

(E)-3-<(E)-3-phenyl-2-propenoxy>propenoic acid (88083-18-5) → 3-phenyl-4-pentenal (939-21-9)

Guidance literature:

at 160 - 180 ℃;

DOI:10.15227/orgsyn.066.0029

Reference yield: 84.0%

1-Chloro-4-[2-((E)-3-phenyl-allyloxy)-ethanesulfinyl]-benzene (130655-07-1) → 3-phenyl-4-pentenal (939-21-9)

Guidance literature:

With sodium hydrogencarbonate; In decalin; at 180 ℃; for 2h;

DOI:10.1016/S0040-4039(00)94494-0

upstream raw materials:

3-phenyl-2-propenyl vinyl ether

(E)-[3-(vinyloxy)prop-1-en-1-yl]benzene

(E)-3-phenyl-3-vinyloxyprop-1-ene

C₁₇H₁₈O₂S

Downstream raw materials:

N-(3-phenyl-4-pentylidene)-2-benzothiazolesulfenamide

3-phenylpent-4-enoic acid

3-Phenylpentanal

1,3-diphenyl-1H-pyrrole