CAS 36288-19-4

chrysene, 3-methoxy-

Description:

Chrysene, 3-methoxy- (CAS 36288-19-4) is a polycyclic aromatic hydrocarbon characterized by a chrysene backbone with a methoxy group (-OCH3) attached at the 3-position. This compound exhibits typical properties of polycyclic aromatic hydrocarbons, including a planar structure that contributes to its stability and potential for π-π stacking interactions. It is generally insoluble in water but soluble in organic solvents such as ethanol and dichloromethane. The presence of the methoxy group can influence its reactivity and polarity, potentially affecting its biological activity and interactions with other molecules. Chrysene derivatives are of interest in various fields, including organic electronics, materials science, and environmental chemistry, due to their unique optical and electronic properties. Additionally, the compound may be studied for its potential roles in biological systems, including its effects on cellular processes and its environmental impact as a pollutant. As with many polycyclic aromatic compounds, caution is warranted due to potential toxicity and carcinogenicity associated with exposure.

Formula: C₁₉H₁₄O

InChI: InChI=1/C19H14O/c1-20-15-9-6-14-8-10-17-16-5-3-2-4-13(16)7-11-18(17)19(14)12-15/h2-12H,1H3

SMILES: COc1ccc2ccc3c4ccccc4ccc3c2c1

Synonyms:

• 3-Methoxychrysene
• Chrysen-3-yl methyl ether
• Chrysene, 3-methoxy-

3-Methoxychrysene

Controlled Product

CAS: 36288-19-4

Applications 3-Methoxychrysene an intermediate in the synthesis of 3-Hydroxychrysene (H750055), a metabolite of Chrysene (C428000).
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Jorgensen, K. et al.: Poly. Arom. Comp., 28, 362 (2008); Grimmer, G. et al.: Int. Arch. Occ. Env, Health, 69, 231 (1997); Anderson, D., et al.: Mutat. Res., 307, 261 (1994), Diamond, S., et al.: Environ. Toxicol. Chem., 25, 3015 (2006)

Formula: C₁₉H₁₄O

Color and Shape: Neat

Molecular weight: 258.31

Ref: TR-M262755

3-Methoxychrysene

CAS: 36288-19-4

3-Methoxychrysene is a carcinogenic compound that has been found in the hexane extract of coal tar. 3-Methoxychrysene is an equilibrating compound, meaning that it can be reversibly converted between its more stable epoxide and less stable phenol forms. The carcinogenic potencies of these two forms are different, with the epoxide form being more potent than the phenol form. 3-Methoxychrysene is metabolized by benzonitrile hydroxylase to yield 3-hydroxybenzaldehyde, which can then undergo nitroreduction to produce benzofuran. This metabolic process is responsible for some of the carcinogenic effects of 3-methoxychrysene.

Formula: C₁₉H₁₄O

Purity: Min. 95%

Molecular weight: 258.3 g/mol

Ref: 3D-LBA28819