BENZO(a)PYRENE, 3,12-DIMETHYL-

Base Information

• Chemical Name: BENZO(a)PYRENE, 3,12-DIMETHYL-
• CAS No.: 16757-84-9
• Molecular Formula: C22H16
• Molecular Weight: 280.369
• DSSTox Substance ID: DTXSID80168314
• Nikkaji Number: J36.060K
• Wikidata: Q83037888
• Mol file: 16757-84-9.mol

Synonyms:3,12-dimethylbenzo[a]pyrene;3,12-Dimethylbenzo(a)pyrene;BRN 2376011;BENZO(a)PYRENE, 3,12-DIMETHYL-;16757-84-9;Benzo[a]pyrene, 3,12-dimethyl-;DTXSID80168314;LS-39987

Chemical Property of BENZO(a)PYRENE, 3,12-DIMETHYL-

Chemical Property:

• Vapor Pressure: 2.52E-09mmHg at 25°C
• Refractive Index: 1.824
• Boiling Point: 491.5 °C at 760 mmHg
• Flash Point: 245 °C
• Density: 1.226 g/cm³
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 280.125200510
• Heavy Atom Count: 22
• Complexity: 426

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CC3=CC4=CC=CC=C4C5=C3C2=C(C=C1)C(=C5)C

Technology Process of BENZO(a)PYRENE, 3,12-DIMETHYL-

There total 3 articles about BENZO(a)PYRENE, 3,12-DIMETHYL- 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:

benzopyrene (50-32-8,42299-33-2,34505-58-3) + acetone (67-64-1) → 6-Methylbenzopyrene (2381-39-7) + 1,6-Dimethylbenzopyrene (16757-90-7) + 3,6-Dimethylbenzopyrene (16757-91-8) + benzo[a]pyrene-1,6-quinone (3067-13-8) + benzo[a]pyrene-3,6-dione (3067-14-9) + 3,12-Dimethylbenzopyrene (16757-84-9)

Guidance literature:

With oxygen; Rate constant; Product distribution; Irradiation; Oxidative degradation,initiated Co⁶⁰ source(1-5 W/kg), other solvents;;

Reference yield:

→ 3,12-Dimethylbenzopyrene (16757-84-9)

Guidance literature:

With pentan-1-ol; hydrogen fluoride; sodium; Reaktion ueber mehrer Stufen und anschliessendes Erhitzen des Reaktionsprodukts mit Palladium/Kohle auf 360grad;

DOI:10.1021/ja01552a058

Reference yield:

octane (111-65-9) + benzopyrene (50-32-8,42299-33-2,34505-58-3) → 7,8,9,10-tetrahydrobenzo[a]pyrene (17750-93-5) + 1,6-Dimethylbenzopyrene (16757-90-7) + 3,6-Dimethylbenzopyrene (16757-91-8) + benzo[a]pyrene-1,6-quinone (3067-13-8) + benzo[a]pyrene-3,6-dione (3067-14-9) + 3,12-Dimethylbenzopyrene (16757-84-9)

Guidance literature:

With oxygen; Rate constant; Product distribution; Irradiation; Oxidative degradation,initiated Co⁶⁰ source(1-5 W/kg), other solvents;;

upstream raw materials:

octane

benzopyrene

acetone

Refernces

• 1、 Uibopuu, Kh. M.,Gubergritis, M. Ya.,Perin-Roussel, O.,Perin, F.,Jacquignon, P. S.. "RADIATION-INITIATED OXIDATIVE DEGRADATION OF POLYCYCLIC ARENES". . p. 2277 - 2285. Retrieved 2007/10/02.