(2-Methylpentyl)benzene

Base Information

• Chemical Name: (2-Methylpentyl)benzene
• CAS No.: 39916-61-5
• Molecular Formula: C₁₂H₁₈
• Molecular Weight: 162.275
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID10960444
• Nikkaji Number: J192.926G
• Mol file: 39916-61-5.mol

Synonyms:(2-Methylpentyl)benzene;2-methylpentylbenzene;39916-61-5;Benzene, (2-methylpentyl)-;(2-methylpentyl)-benzene;1-Phenyl-2-methylpentane;DTXSID10960444;LFBQYMCKHGBSJY-UHFFFAOYSA-N;AKOS006275660;FT-0690308

Chemical Property of (2-Methylpentyl)benzene

Chemical Property:

• Vapor Pressure: 0.189mmHg at 25°C
• Boiling Point: 218.1°C at 760 mmHg
• Flash Point: 77.4°C
• PSA: 0.00000
• Density: 0.86g/cm³
• LogP: 3.66530
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 162.140850574
• Heavy Atom Count: 12
• Complexity: 101

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(C)CC1=CC=CC=C1

Technology Process of (2-Methylpentyl)benzene

There total 11 articles about (2-Methylpentyl)benzene 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:

α-Methyl-propyl-benzeneethanol (54518-11-5) → 2-Benzylpentane (39916-61-5)

Guidance literature:

With potassium hydrogensulfate; Hydrieren des Reaktionsprodukts an Palladium/Kohle;

DOI:10.1021/ja01523a037

Reference yield:

phenylmagnesium bromide (1589-82-8) → 2-Benzylpentane (39916-61-5)

Guidance literature:

Multi-step reaction with 2 steps

2: potassium hydrogen sulfate / Hydrieren des Reaktionsprodukts an Palladium/Kohle

With potassium hydrogensulfate;

DOI:10.1021/ja01523a037

Reference yield:

2-Pentanone (107-87-9) → 2-Benzylpentane (39916-61-5)

Guidance literature:

Multi-step reaction with 2 steps

2: potassium hydrogen sulfate / Hydrieren des Reaktionsprodukts an Palladium/Kohle

With potassium hydrogensulfate;

DOI:10.1021/ja01523a037

upstream raw materials:

α-Methyl-propyl-benzeneethanol

bromobenzene

2-methylvaleraldehyde

benzyl bromide

Downstream raw materials:

4'-Ethoxy-4-(2-methylpentyl)-α-chlor-trans-stilben