1-Methyl-3-propylbenzene

Base Information

• Chemical Name: 1-Methyl-3-propylbenzene
• CAS No.: 1074-43-7
• Molecular Formula: C10H14
• Molecular Weight: 134.221
• Hs Code.: 2902909090
• European Community (EC) Number: 214-040-3
• NSC Number: 73974
• UNII: I0ZJ4I1KOV
• DSSTox Substance ID: DTXSID4061468
• Nikkaji Number: J91.292A
• Wikidata: Q27280221
• Mol file: 1074-43-7.mol

Synonyms:1-METHYL-3-PROPYLBENZENE;1074-43-7;3-Propyltoluene;m-Propyltoluene;Benzene, 1-methyl-3-propyl-;Toluene, m-propyl-;1-Methyl-3-n-propylbenzene;3-n-Propyltoluene;UNII-I0ZJ4I1KOV;I0ZJ4I1KOV;EINECS 214-040-3;NSC 73974;NSC-73974;3-Propyl-toluene;1-methyl-3-propyl-benzene;1-Methyl-3-n-propyl benzene;DTXSID4061468;NSC73974;MFCD00059247;AKOS016846127;FT-0723288;P0748;D92006;Q27280221

Chemical Property of 1-Methyl-3-propylbenzene

Chemical Property:

• Vapor Pressure: 1.04mmHg at 25°C
• Melting Point: -82.58°C
• Refractive Index: 1.4910 to 1.4940
• Boiling Point: 183.7°Cat760mmHg
• Flash Point: 56°C
• PSA: 0.00000
• Density: 0.865g/cm³
• LogP: 2.94750
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.109550447
• Heavy Atom Count: 10
• Complexity: 86

Purity/Quality:

98% ^*data from raw suppliers

3-Propyltoluene >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=CC(=C1)C

Technology Process of 1-Methyl-3-propylbenzene

There total 35 articles about 1-Methyl-3-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:

ethene (74-85-1) + toluene (108-88-3,15644-74-3,16713-13-6) → 1-Methyl-3-ethylbenzene (620-14-4) + 2-Ethyltoluene (611-14-3) + ethylbenzene (100-41-4,27536-89-6) + 4-methylethylbenzene (622-96-8) + 1-Methyl-3-propylbenzene (1074-43-7) + 1-ethyl-2,4-dimethyl-benzene (874-41-9)

Guidance literature:

With phosphorus-modified H-ZSM-5 zeolite; at 320 ℃; Product distribution; 400 deg C; alkylation of toluene with ethylene on a phosphorus-modified H-ZSM-5 zeolite, side reactions of ethylene oligomerization with cyclization and aromatization, disproportionation, alkylation and cyclization of arylaromatic hydrocarbons;

DOI:10.1135/cccc19931832

Reference yield:

cis-Octadecenoic acid (112-80-1,2027-47-6) → nonane (111-84-2) + decane (124-18-5) + n-Undecane (1120-21-4) + dodecane (112-40-3) + Tridecane (629-50-5) + Hexadecane (544-76-3) + hepatdecane (629-78-7) + 1-Methyl-3-ethylbenzene (620-14-4) + n-undecylcyclohexane (54105-66-7) + ethylbenzene (100-41-4,27536-89-6) + 1-Methyl-3-propylbenzene (1074-43-7) + 1,2,3-trimethylcyclopentene (473-91-6)

Guidance literature:

With carbon dioxide; at 360 ℃; for 5h; Reagent/catalyst; Autoclave; High pressure; Green chemistry;

DOI:10.1039/c7gc01853c

Reference yield:

cyclopropane (75-19-4) + toluene (108-88-3,15644-74-3,16713-13-6) → m-cymene (535-77-3) + 4-methylisopropylbenzene (99-87-6) + 1-Methyl-3-propylbenzene (1074-43-7) + 1-Methyl-2-propylbenzene (1074-17-5)

Guidance literature:

With hydrogen; at 34 ℃; under 100 Torr; Further byproducts given; Irradiation;

DOI:10.1021/ja00534a032

upstream raw materials:

3'-Methylpropiophenone

meta-bromotoluene

propyl bromide

ethene

Refernces

• 1、 Webster-Gardiner, Michael S.,Chen, Junqi,Vaughan, Benjamin A.,McKeown, Bradley A.,Schinski, William,Gunnoe, T. Brent. "Catalytic Synthesis of “Super” Linear Alkenyl Arenes Using an Easily Prepared Rh(I) Catalyst". . p. 5474 - 5480. Retrieved 2017/04/27.
• 2、 Zhang, Jingjing,Zhao, Chen. "A new approach for bio-jet fuel generation from palm oil and limonene in the absence of hydrogen". supporting information. p. 17249 - 17252. Retrieved 2015/12/08.