CAS 78751-40-3

pyren-1-yl acetate

Description:

Pyren-1-yl acetate, with the CAS number 78751-40-3, is an organic compound characterized by the presence of a pyrene moiety, which is a polycyclic aromatic hydrocarbon, linked to an acetate functional group. This compound typically exhibits a solid state at room temperature and is known for its aromatic properties, contributing to its potential applications in organic electronics and as a fluorescent probe. Pyren-1-yl acetate is generally soluble in organic solvents such as acetone and dichloromethane, but has limited solubility in water due to its hydrophobic nature. The compound can undergo various chemical reactions, including hydrolysis, which can lead to the release of acetic acid and pyrene. Its fluorescence properties make it useful in studies involving photophysical behavior and in the development of materials for optoelectronic devices. Additionally, the presence of the acetate group can influence its reactivity and interactions with other chemical species, making it a subject of interest in both synthetic and applied chemistry.

Formula: C₁₈H₁₂O₂

InChI: InChI=1/C18H12O2/c1-11(19)20-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-10H,1H3

SMILES: CC(=O)Oc1ccc2ccc3cccc4ccc1c2c34

1-Pyrenol Acetate

Controlled Product

CAS: 78751-40-3

Applications 1-Pyrenol Acetate is an intermediate in the synthesis of 8-Nitro-1-pyrenol-d8 (N519992), which is an urinary hydroxylated metabolites used as a biomarkers of exposure of polycyclic aromatic hydrocarbons. This is the labeled analog.
References Toriba, A., et al.: J. Health. Sci., 53; 631 (2007); Chae, Y.H., et al.: Cancer Res., 59, 1473 (1999); Sangaiah, R., et al.: Poly. Aro. Comp., 11, 283 (1996);

Formula: C₁₈H₁₂O₂

Color and Shape: Neat

Molecular weight: 260.29

Ref: TR-P989580

1-Pyrenol acetate

CAS: 78751-40-3

1-Pyrenol acetate is a synthetic aromatic hydrocarbon that has been used as a mutagen. It has been shown to produce mutations in bacterial enzymes and to induce photodecomposition. 1-Pyrenol acetate is mutagenic in Salmonella typhimurium, but not in Escherichia coli. The skeleton of 1-pyrenol acetate is oxidised to the corresponding carboxylic acid during metabolism. This may be due to its interaction with the liver microsomal enzyme system, which produces an endogenous oxidising agent.

Formula: C₁₈H₁₂O₂

Purity: Min. 95%

Molecular weight: 260.3 g/mol

Ref: 3D-DDA75140