NAVIGATION


1-Hydroxypyrene

Catalog Number
ACM5315797-3
CAS Number
5315-79-7
Product Name
1-Hydroxypyrene
Category
Organic Light-Emitting Diode (OLED) Materials; Other Electronic Materials
Synonyms
Pyren-1-ol
IUPAC Name
pyren-1-ol
Molecular Weight
218.26
Molecular Formula
C16H10O
Canonical SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O
InChI
InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H
InChI Key
BIJNHUAPTJVVNQ-UHFFFAOYSA-N
Melting Point
180.0 °C
Application
1-Hydroxypyrene, a pale yellow solid and a member of pyrenes, is employed in various studies to enhance our understanding of environmental and occupational exposure to polycyclic aromatic hydrocarbons (PAHs). It is instrumental in the rapid detection and quantification of 1-hydroxypyrene in tissue extracts from Nereis diversicolor, which have been exposed to sediment-associated pyrene, utilizing a straightforward fluorometric method. Additionally, it plays a crucial role in exploring the impact of genetic polymorphisms in enzymes such as cytochrome P450 1A1 (CYP1A1), CYP2E1, and glutathione S-transferases mu (GSTM1) and theta (GSTT1) on the urinary levels of 1-hydroxypyrene and 2-naphthol in aircraft maintenance workers. Furthermore, 1-hydroxypyrene is used to assess PAH exposure among cokery workers at an Estonian oil shale processing plant, providing valuable insights into occupational health in various industrial settings.
Complexity
300
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Exact Mass
218.0731
Formal Charge
0
Heavy Atom Count
17
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
MeSH Entry Terms
1-hydroxypyrene;1-pyrenol
Monoisotopic Mass
218.0731
NSC Number
30968
Rotatable Bond Count
0
Topological Polar Surface Area
20.2 Ų
UNII
N2H6O5V707
Vapor Pressure
4.83e-09 mmHg
XLogP3
4.6
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