Toluene

Base Information

• Chemical Name: Toluene
• CAS No.: 108-88-3
• Deprecated CAS: 1053657-77-4,1202864-97-8,1202864-97-8
• Molecular Formula: C7H8
• Molecular Weight: 92.1405
• Hs Code.: 2902300000
• European Community (EC) Number: 203-625-9,946-198-0
• ICSC Number: 0078
• NSC Number: 406333
• UN Number: 1294
• UNII: 3FPU23BG52
• DSSTox Substance ID: DTXSID7021360,DTXSID00184990
• Nikkaji Number: J2.245.009C,J2.868A
• Wikipedia: Toluene
• Wikidata: Q15779,Q83046212
• NCI Thesaurus Code: C77930
• Pharos Ligand ID: M374NYX7BH24
• Metabolomics Workbench ID: 46394
• ChEMBL ID: CHEMBL9113
• Mol file: 108-88-3.mol

Synonyms:1-Methylbenzene;Antisal 1a;CP 25;CP 25 (solvent);Methacide;Methylbenzene;Methylbenzol;NSC 406333;Phenylmethane;Toluol;Toluene(8CI);

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Toluene

Chemical Property:

• Appearance/Colour: Colourless liquid with a benzene-like odour
• Vapor Pressure: 27.7mmHg at 25°C
• Melting Point: -95 °C
• Refractive Index: 1.499
• Boiling Point: 110.602 °C at 760 mmHg
• Flash Point: 10 °C
• PSA: 0.00000
• Density: 0.872 g/cm³
• LogP: 1.99500
• Water Solubility.: 0.5 g/L (20℃)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 92.062600255
• Heavy Atom Count: 7
• Complexity: 42
• Transport DOT Label: Flammable Liquid

Purity/Quality:

Safty Information:

• Pictogram(s): F,Xn,T
• Hazard Codes: F:Flammable;;
• Statements: R11:; R38:; R48/20:; R63:; R65:; R67:
• Safety Statements: S36/37:; S46:; S62:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aromatic Solvents
• Canonical SMILES: CC1=CC=CC=C1
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. Exposure at high levels could cause cardiac dysrhythmia and unconsciousness.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking. The substance may have effects on the central nervous system. Exposure to the substance may increase noise-induced hearing loss. Animal tests show that this substance possibly causes toxicity to human reproduction or development.

Technology Process of Toluene

There total 3679 articles about Toluene 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: 90.0%

acetophenone (98-86-2) → 1-Phenylethanol (98-85-1,13323-81-4) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

With hydrogenchloride; aluminium; nickel dichloride; In water; at 20 ℃; Product distribution;

DOI:10.1016/S0040-4020(01)90501-0

Reference yield: 59.0%

phenylacetylene (536-74-3) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

With hydrogenchloride; aluminium; nickel dichloride; In ethanol; water; at 20 ℃; for 3.5h; Product distribution;

DOI:10.1016/S0040-4020(01)90501-0

Reference yield: 53.0%

N,N'-dimethylbenzylamine (103-83-3) + trimethylaluminum (75-24-1) → ethylbenzene (100-41-4,27536-89-6) + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7) + dimethyl amine (124-40-3) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

In benzene; for 50h; Irradiation;

DOI:10.1246/cl.1982.1633

upstream raw materials:

oxirane

tetralin

1-phenyl-2-methylpropane

para-xylene

Downstream raw materials:

4-Methylphenethyl alcohol

bindone

4-Methylbenzyl chloride

N,N'-(4-methyl-m-phenylene)-bis-acetoacetamide

Refernces

• 1、 Shafaghat, Hoda,Sirous Rezaei, Pouya,Daud, Wan Mohd Ashri Wan. "Catalytic hydrogenation of phenol, cresol and guaiacol over physically mixed catalysts of Pd/C and zeolite solid acids". . p. 33990 - 33998. Retrieved 2015.
• 2、 Colborn, Robert E.,Vollhardt, K. Peter C.. "On the Mechanism of the Cyclooctatetraene Synthesis from Ethyne Employing Nickel Catalysts". . p. 5470 - 5477. Retrieved 1986.
• 3、 Graebe. "-". . . Retrieved 1873.
• 4、 Chung, Sung-Kee,Sasamoto, Kazumi. "Reactions of Triarylsulphonium Salt with Alkoxide Nucleophiles: Involvement of Radical Intermediates". . p. 346 - 347. Retrieved 1981.
• 5、 Culver, Damien B.,Conley, Matthew P.. "Activation of C?F Bonds by Electrophilic Organosilicon Sites Supported on Sulfated Zirconia". . p. 14902 - 14905. Retrieved 2018.
• 6、 Hartmann,Biffar. "-". . p. 1468. Retrieved 1977.
• 7、 Dong, Peng,Li, Zeyu,Ji, Dong,Wang, Xiaorui,Yun, Hongfei,Du, Zhisong,Bian, Jie,Li, Guixian. "Catalytic benzene mono-alkylation over three catalysts: improving activity and selectivity with M-Y catalyst". . p. 149 - 155. Retrieved 2018.
• 8、 Tshabalala, Themba E.,Scurrell, Michael S.. "Aromatization of n-hexane over Ga, Mo and Zn modified H-ZSM-5 zeolite catalysts". . p. 49 - 52. Retrieved 2015.
• 9、 Gomez Sanz, Sara,McMillan, Liam,McGregor, James,Zeitler, J. Axel,Al-Yassir, Nabil,Al-Khattaf, Sulaiman,Gladden, Lynn F.. "The enhancement of the catalytic performance of CrOx/Al2O3 catalysts for ethylbenzene dehydrogenation through tailored coke deposition". . p. 1120 - 1133. Retrieved 2016.
• 10、 Tupitsyn,Zatsepina. "Isotope Effects and Hydrogen Exchange Mechanism in Compounds Having Labile Aliphatic C-H Bonds in Basic Liquid Ammonia Solutions". . p. 358 - 370. Retrieved 2003.