Propylbenzene

Base Information

• Chemical Name: Propylbenzene
• CAS No.: 103-65-1
• Deprecated CAS: 74296-31-4
• Molecular Formula: C9H12
• Molecular Weight: 120.194
• Hs Code.: 2902909090
• European Community (EC) Number: 203-132-9
• NSC Number: 16941
• UN Number: 2364
• UNII: 0WR86ZHG2Z
• DSSTox Substance ID: DTXSID3042219
• Nikkaji Number: J5.516F
• Wikipedia: N-Propylbenzene
• Wikidata: Q288806
• Metabolomics Workbench ID: 56468
• ChEMBL ID: CHEMBL286062
• Mol file: 103-65-1.mol

Synonyms:n-propylbenzene;n-propylbenzene ion (1+);propylbenzene

Chemical Property of Propylbenzene

Chemical Property:

• Appearance/Colour: Colourless or light yellow liquid
• Vapor Pressure: 3.09mmHg at 25°C
• Melting Point: -99 °C(lit.)
• Refractive Index: n20/D 1.491(lit.)
• Boiling Point: 160.5 °C at 760 mmHg
• Flash Point: 42.1 °C
• PSA: 0.00000
• Density: 0.862 g/cm³
• LogP: 2.63910
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 120.093900383
• Heavy Atom Count: 9
• Complexity: 60.4
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi,N,Xn
• Hazard Codes: Xn:Harmful;;
• Statements: R10:; R37:; R51/53:; R65:
• Safety Statements: S24:; S37:; S61:; S62:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aromatic Solvents
• Canonical SMILES: CCCC1=CC=CC=C1

Technology Process of Propylbenzene

There total 642 articles about Propylbenzene 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: 2.187%

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → tetralin (119-64-2) + biphenyl (92-52-4,1594-86-1) + ethylbenzene (100-41-4,27536-89-6) + phenylpropane (103-65-1) + Diphenylmethane (101-81-5) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

With aluminium trichloride; at 160 ℃; for 48h; under 760 Torr; Product distribution; influence of reaction conditions and transition-metal carbonyls on product-yield distribution;

DOI:10.1021/ja00402a077

Reference yield:

quinoline (91-22-5) → 5,6,7,8-tetrahydroquinoline (10500-57-9) + 1,2,3,4-tetrahydroisoquinoline (635-46-1) + propylcyclohexane (1678-92-8) + phenylpropane (103-65-1) + 2-propylaniline (1821-39-2)

Guidance literature:

With hydrogen; ruthenium sulphide on HY-zeolite; In n-heptane; at 400 ℃; for 4.5h; under 25862.1 Torr; Product distribution; other catalysts;

DOI:10.1039/c39850000188

Reference yield:

1,2,3,4-tetrahydroisoquinoline (635-46-1) → propylcyclohexane (1678-92-8) + 1-propylcyclohexene (2539-75-5) + phenylpropane (103-65-1) + 2-propylaniline (1821-39-2)

Guidance literature:

With hydrogen; sulfided NiMo-Al₂O₃; In n-heptane; at 349.9 ℃; for 2h; under 52504.2 Torr;

upstream raw materials:

quinoline

allylbenzene

diethyl sulfate

1-phenylpropene

Downstream raw materials:

4-oxo-4-(4-propyl-phenyl)-trans-crotonic acid

4-oxo-4-(4-propyl-phenyl)-butyric acid

1-(Chloromethyl)-4-propylbenzene

4-n-propylbenzoic acid

Refernces

• 1、 Barton, Derek H. R.,Bohe, Luis,Lusinchi, Xavier. "SODIUM HYDROGEN TELLURIDE: A MECHANISTIC CHAMELEON". . p. 6609 - 6612. Retrieved 1987.
• 2、 Nishiyama, Yutaka,Inoue, Jun,Teranishi, Kazuyo,Moriwaki, Masami,Hamanaka, Sawako. "Selenium-assisted reduction of α- and β-diketones with carbon monoxide and water". . p. 6347 - 6350. Retrieved 1992.
• 3、 Sluijter, Soraya N.,Warsink, Stefan,Lutz, Martin,Elsevier, Cornelis J.. "Synthesis of palladium(0) and -(ii) complexes with chelating bis(N-heterocyclic carbene) ligands and their application in semihydrogenation". . p. 7365 - 7372. Retrieved 2013.
• 4、 Su, Bo,Li, Yawei,Li, Zhen Hua,Hou, Jun-Li,Wang, Huadong. "Activation of C-C Bonds via σ-Bond Metathesis: Hydroborenium-Catalyzed Hydrogenolysis of Cyclopropanes". . p. 4159 - 4163. Retrieved 2020.
• 5、 Wang, Yuwen,Chen, Weiqiang,Lu, Zhenpin,Li, Zhen Hua,Wang, Huadong. "Metal-free HB(C6F5)2-catalyzed hydrogenation of unfunctionalized olefins and mechanism study of borane-mediated σ-bond metathesis". . p. 7496 - 7499. Retrieved 2013.
• 6、 Torrente-Murciano, Laura,Lapkin, Alexei A.,Bavykin, Dmitry V.,Walsh, Frank C.,Wilson, Karen. "Highly selective Pd/titanate nanotube catalysts for the double-bond migration reaction". . p. 272 - 278. Retrieved 2007.
• 7、 Anbu, Nagaraj,Dhakshinamoorthy, Amarajothi. "Cu3(BTC)2 metal organic framework as heterogeneous solid catalyst for the reduction of styrenes with silane as reducing agent". . . Retrieved 2019.
• 8、 MacHado, Bruno F.,Morales-Torres, Sergio,Pérez-Cadenas, Agustín F.,Maldonado-Hódar, Francisco J.,Carrasco-Marín, Francisco,Silva, Adrián M.T.,Figueiredo, José L.,Faria, Joaquim L.. "Preparation of carbon aerogel supported platinum catalysts for the selective hydrogenation of cinnamaldehyde". . p. 161 - 169. Retrieved 2012.
• 9、 Hartung,Crossley. "-". . p. 159. Retrieved 1934.
• 10、 Irwin,McQuillin. "". . p. 2195. Retrieved 1968.