CAS 13345-21-6

3-Hydroxybenzo[a]pyrene

Description:

3-Hydroxybenzo[a]pyrene is a polycyclic aromatic hydrocarbon (PAH) that is recognized for its potential mutagenic and carcinogenic properties. It is a derivative of benzo[a]pyrene, which is a well-known environmental pollutant often found in combustion products, such as tobacco smoke and grilled foods. The presence of a hydroxyl group at the 3-position of the benzo[a]pyrene structure enhances its reactivity and biological activity. This compound is typically studied in the context of environmental chemistry and toxicology due to its ability to form DNA adducts, which can lead to genetic mutations. Its solubility characteristics are influenced by the hydroxyl group, making it more polar compared to its parent compound. 3-Hydroxybenzo[a]pyrene is often analyzed in environmental samples to assess exposure risks and is of interest in research related to cancer mechanisms. Safety precautions are necessary when handling this substance, as it poses health risks associated with long-term exposure.

Formula: C₂₀H₁₂O

InChI: InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H

InChI key: InChIKey=SPUUWWRWIAEPDB-UHFFFAOYSA-N

SMILES: OC1=C2C3=C4C(C=5C(C=C4C=C2)=CC=CC5)=CC=C3C=C1

Synonyms:

• 23689, 3-Hydroxybenzo[a]pyrene (purity)
• 3-Hydroxy-3,4-benzo[a]pyrene
• 3-Hydroxy-Benzo(A)Pyren
• 3-Hydroxybenz(A)Pyrene
• 3-Hydroxybenzopyrene
• 8-Hydroxy-3,4-Benzpyrene
• Benzo(A)Pyren-3-Ol
• Benzo[Pqr]Tetraphen-3-Ol
• Bp-3-Hydroxy
• 3-Hydroxybenzo[a]pyrene

Benzo[pqr]tetraphen-3-ol

CAS: 13345-21-6

Formula: C₂₀H₁₂O

Color and Shape: Solid

Molecular weight: 268.3087

Ref: IN-DA0080HB

3-Hydroxy Benzopyrene

CAS: 13345-21-6

Formula: C₂₀H₁₂O

Molecular weight: 268.32

Ref: 4Z-B-521

3-Hydroxy Benzopyrene

CAS: 13345-21-6

Applications A metabolite of Benzopyrene (BaP), a carcinogenic component of tobacco smoke implicated in lung cancer.
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 DiBiasio, K., et al.: Drug Metab. Dispos.,19, 227 (1991), Beach, J., et al.: J. Anal. Toxicol., 24, 670 (2000), Borman, S., et al.: Toxicol. Appl. Pharmacol., 167, 191 (2000), Tsai-Turton, M., et al.: Biol. Reprod., 77, 442 (2007),

Formula: C₂₀H₁₂O

Color and Shape: Neat

Molecular weight: 268.31

Ref: TR-H829400

3-Hydroxy Benzopyrene-13C6

Controlled Product

CAS: 13345-21-6

Formula: C₆C₁₄H₁₂O

Color and Shape: Neat

Molecular weight: 274.265

Ref: TR-H829403