1-Ethylchrysene

Base Information

• Chemical Name: 1-Ethylchrysene
• CAS No.: 6705-11-9
• Molecular Formula: C₂₀H₁₆
• Molecular Weight: 256.347
• UNII: 6PA6M2ZZ1Y
• DSSTox Substance ID: DTXSID40565764
• Wikidata: Q82451020
• Mol file: 6705-11-9.mol

Synonyms:3-ethylchrysene;ethylchrysene

Chemical Property of 1-Ethylchrysene

Chemical Property:

• PSA: 0.00000
• LogP: 5.70860
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 256.125200510
• Heavy Atom Count: 20
• Complexity: 333

Purity/Quality:

98% ^*data from raw suppliers

1-Ethylchrysene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C2C=CC3=C(C2=CC=C1)C=CC4=CC=CC=C43
• Uses: 1-Ethylchrysene is a polycyclic aromatic hydrocarbon (PAH), widespread genotoxic environmental pollutant. 1-Ethylchrysene is used to demonstrate that photoirradiation of PAHs leads to cytotoxicity, DNA damage, and induction of lipid peroxidn.

Technology Process of 1-Ethylchrysene

There total 1 articles about 1-Ethylchrysene 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:

1,2,3,4-tetrahydrochrysen-1-one (63642-50-2) + ethylmagnesium bromide (925-90-6) → 1-ethyl-chrysene (6705-11-9)

Guidance literature:

With diethyl ether; benzene; Erhitzen des nach der Hydrolyse erhaltenen Reaktionsprodukts mit Palladium-Kohle auf 300-320grad;

DOI:10.1021/jo01210a009

upstream raw materials:

1,2,3,4-tetrahydrochrysen-1-one

ethylmagnesium bromide