Cas no 36271-80-4 (Benzo[a]pyrene-6-methanol,a-methyl- (9CI))
![Benzo[a]pyrene-6-methanol,a-methyl- (9CI) structure](https://ossimg.kuujia.com/scimg/36500/36271-80-4x500.png)
36271-80-4 structure
Product Name:Benzo[a]pyrene-6-methanol,a-methyl- (9CI)
CAS No:36271-80-4
MF:C22H16O
MW:296.361845970154
CID:307680
PubChem ID:198164
Update Time:2025-04-19
Benzo[a]pyrene-6-methanol,a-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene-6-methanol,a-methyl- (9CI)
- 1-benzo[b]pyren-6-ylethanol
- 1-(6-benzo[a]pyrenyl)ethanol
- BRN 3368999
- alpha-Methylbenzo(a)pyrene-6-methanol
- 1-(6-Benzo(a)pyrenyl)ethanol
- 3-06-00-03816 (Beilstein Handbook Reference)
- 36271-80-4
- Benzo(a)pyrene-6-methanol, alpha-methyl-
- DTXSID30957659
- 1-(Benzo[pqr]tetraphen-6-yl)ethan-1-ol
-
- Inchi： 1S/C22H16O/c1-13(23)20-17-8-3-2-7-16(17)18-11-9-14-5-4-6-15-10-12-19(20)22(18)21(14)15/h2-13,23H,1H3
- InChI Key： PUSCZGPNNARBNH-UHFFFAOYSA-N
- SMILES： OC(C)C1C2C=CC=CC=2C2C=CC3=CC=CC4C=CC=1C=2C=43
Computed Properties
- Exact Mass: 296.12018
- Monoisotopic Mass: 296.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 445
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.8
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.304
- Boiling Point: 534.7°Cat760mmHg
- Flash Point: 225.4°C
- Refractive Index: 1.848
- PSA: 20.23
Benzo[a]pyrene-6-methanol,a-methyl- (9CI) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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