1,2,5-Trimethyl-3-isopropylbenzene

Base Information

• Chemical Name: 1,2,5-Trimethyl-3-isopropylbenzene
• CAS No.: 41314-13-0
• Molecular Formula: C12H18
• Molecular Weight: 162.275
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID90558984
• Wikidata: Q82441487
• Mol file: 41314-13-0.mol

Synonyms:41314-13-0;1,2,5-Trimethyl-3-isopropylbenzene;DTXSID90558984;TZKXCJCWPNIXDP-UHFFFAOYSA-N;1,2,5-Trimethyl-3-(propan-2-yl)benzene

Chemical Property of 1,2,5-Trimethyl-3-isopropylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.73520
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 162.140850574
• Heavy Atom Count: 12
• Complexity: 137

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2,5-Trimethyl-3-isopropylbenzene

There total 2 articles about 1,2,5-Trimethyl-3-isopropylbenzene 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:

carbon monoxide (201230-82-2) → carbon dioxide (124-38-9,18923-20-1) + 1,2,4-Trimethylbenzene (95-63-6) + 1,2,4,5-tetramethylbenzene (95-93-2) + pentamethylbenzene, (700-12-9) + Hexamethylbenzene (87-85-4) + 2,4-dimethylcumene (4706-89-2) + 1-ethyl-3,5-dimethylbenzene (934-74-7) + 2,3,5-trimethylcumene (41314-13-0) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

With MoNi on ZSM-5 zeolite support; at 280 ℃; under 13689.1 Torr;

DOI:10.1016/j.apcata.2014.04.044

Reference yield:

→ 2,3,5-trimethylcumene (41314-13-0)

Guidance literature:

Pseudocumol, Isopropylen/Nitromethan, AlCl3, 25grad;

DOI:10.1021/ja01060a016

upstream raw materials:

carbon monoxide