Pentadecylbenzene

Base Information

• Chemical Name: Pentadecylbenzene
• CAS No.: 2131-18-2
• Molecular Formula: C21H36
• Molecular Weight: 288.517
• Hs Code.: 2902909090
• European Community (EC) Number: 272-577-9,218-352-0
• NSC Number: 88949
• UNII: FLW4P997AO
• DSSTox Substance ID: DTXSID5051860
• Nikkaji Number: J108.122E
• Wikidata: Q27278054
• Metabolomics Workbench ID: 48881
• Mol file: 2131-18-2.mol

Synonyms:Pentadecylbenzene;1-Phenylpentadecane;2131-18-2;N-PENTADECYLBENZENE;Benzene, pentadecyl-;Pentadecane, 1-phenyl-;FLW4P997AO;EINECS 272-577-9;NSC-88949;68890-99-3;Pentadecyl benzene;Pentadecyl-Benzene;1-Phenyl-Pentadecane;PENTADECYLBENZOL;UNII-FLW4P997AO;DTXSID5051860;HSDB 5866;Pentadecane, 1-phenyl- (8CI);N-PENTADECYLBENZENE [HSDB];CAA13118;NSC88949;EINECS 218-352-0;MFCD00015083;NSC 88949;AKOS024319282;1-Phenylpentadecane, analytical standard;BS-22720;CS-0204618;FT-0706421;P0665;D91995;J-013981;Q27278054

Chemical Property of Pentadecylbenzene

Chemical Property:

• Vapor Pressure: 2.01E-05mmHg at 25°C
• Melting Point: 22 °C(lit.)
• Refractive Index: n20/D 1.482
• Boiling Point: 373 °C(lit.)
• Flash Point: 167.4°C
• PSA: 0.00000
• Density: 0.856g/cm³
• LogP: 7.32030
• XLogP3: 10.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 14
• Exact Mass: 288.281701148
• Heavy Atom Count: 21
• Complexity: 190

Purity/Quality:

98%,99%, ^*data from raw suppliers

Pentadecylbenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: CCCCCCCCCCCCCCCC1=CC=CC=C1

Technology Process of Pentadecylbenzene

There total 3 articles about Pentadecylbenzene 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: 87.0%

Methyl 3-n-pentadecylphenyl ether (15071-57-5) → 1-phenylpentadecane (2131-18-2)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; 1,3-bis(2,4,6-trimethylphenyl)4,5-dimethyl-1,3-dihydro-2H-imidazol-2-ylidene; diisopropopylaminoborane; sodium acetate; In toluene; at 180 ℃; for 18h;

DOI:10.1021/acscatal.8b02009

Reference yield: 85.0%

3-pentadecyl-1-(1-phenyl-tetrazolyloxy)benzene (930118-25-5) → 1-phenylpentadecane (2131-18-2)

Guidance literature:

With hydrogen; palladium on carbon; In toluene; at 40 ℃; for 8h; under 2068.65 Torr;

Reference yield:

→ 1-phenylpentadecane (2131-18-2)

Guidance literature:

DOI:10.1016/S0021-9673(01)98400-6

upstream raw materials:

3-pentadecyl-1-(1-phenyl-tetrazolyloxy)benzene

Methyl 3-n-pentadecylphenyl ether

Downstream raw materials:

Pentadecylbenzolsulfonsaeure

oxo-(4-pentadecyl-phenyl)-acetic acid ethyl ester

4'-pentadecylacetophenone

4-n-pentadecylbenzoyl chloride

Refernces

• 1、 -. "Bisphenol compound and process for preparation thereof". Page/Page column 4. . Retrieved 2008/06/13.