3-Methyl-5-phenylpentanal

Base Information

• Chemical Name: 3-Methyl-5-phenylpentanal
• CAS No.: 55066-49-4
• Molecular Formula: C12H16O
• Molecular Weight: 176.258
• Hs Code.: 2912299000
• European Community (EC) Number: 433-900-0,611-227-5
• UNII: 00RZ3F0O1X
• DSSTox Substance ID: DTXSID9052212
• Nikkaji Number: J1.574.283F
• Wikidata: Q27231368
• Mol file: 55066-49-4.mol

Synonyms:3-methyl-5-phenylpentanal;55066-49-4;phenylmethylpentanal;3-Methyl-5-phenyl-1-pentanal;Benzenepentanal, b-methyl-;Benzenepentanal, beta-methyl-;MEFRANAL;Benzenepentanal, .beta.-methyl-;UNII-00RZ3F0O1X;00RZ3F0O1X;EC 433-900-0;Citralis;MEFANAL;Bencenpentanal, ?-metil-;beta- methylbenzenepentanal;beta-Methyl-benzenepentanal;SCHEMBL112546;3-Methyl-5-phenylpentan-1-al;DTXSID9052212;PHENYLMETHYLPENTANAL [INCI];AKOS006274679;PHENYLMETHYLPENTANAL, (+/-)-;Q27231368

Chemical Property of 3-Methyl-5-phenylpentanal

Chemical Property:

• Vapor Pressure: 0.00455mmHg at 25°C
• Refractive Index: 1.497
• Boiling Point: 277.4 °C at 760 mmHg
• Flash Point: 132.6 °C
• PSA: 17.07000
• Density: 0.947 g/cm³
• LogP: 2.84430
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 136

Purity/Quality:

99.9% ^*data from raw suppliers

3-METHYL-5-PHENYL-PENTANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1=CC=CC=C1)CC=O

Technology Process of 3-Methyl-5-phenylpentanal

There total 4 articles about 3-Methyl-5-phenylpentanal 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: 94.0%

2-methyl-4-phenyl-1-butene (6683-51-8) + carbon monoxide (201230-82-2) → mefanal (55066-49-4)

Guidance literature:

With hydrogen; (CO)4(PEtPh2)W(μ-PPh2)Rh(CO)(PPh3); In toluene; at 50 ℃; for 50h; under 760 Torr;

DOI:10.1246/cl.2006.540

Reference yield:

3-methyl-5-phenylpentan-1-ol (55066-48-3) → mefanal (55066-49-4)

Guidance literature:

With magnesium hydrosilicate; oxygen; silver; at 260 ℃; under 30 Torr;

DOI:10.1002/hlca.19350180171

Reference yield:

4-Phenyl-2-butanone (2550-26-7) → mefanal (55066-49-4)

Guidance literature:

Multi-step reaction with 3 steps

1: amalgamated magnesium; diethyl ether; benzene / Destillation des Reaktionsprodukts unter Zusatz von Naphthalin-sulfonsaeure-⁽²⁾ und Hydrierung des erhaltenen Ester-Gemisches in Aethanol an einem Nickel-Katalysator

2: petroleum ether; sodium; ethanol

3: oxygen; silver / asbestos / 260 °C / 30 Torr

With magnesium hydrosilicate; amalgamated magnesium; diethyl ether; ethanol; oxygen; silver; sodium; Petroleum ether; benzene;

DOI:10.1002/hlca.19350180171

upstream raw materials:

3-methyl-5-phenylpentan-1-ol

2-methyl-4-phenyl-1-butene

carbon monoxide

4-Phenyl-2-butanone

Downstream raw materials:

(5,5-Dimethoxy-3-Methyl Pentyl)-Benzene