4-tert-buthylphenol

Synonyms: butylphen, "p-tert-butylphenol", "4-(1,1-dimethylethyl)phenol"

Source: 4-tert-butylphenol is an adhesive commonly used to bond leather, rubber-to-rubber, or rubber-to-metal surfaces.

Identifiers:

IUPAC Name: 4-tert-butylphenol
CAS Number: 98-54-4
PubChem ID: 7393
InChiKey: QHPQWRBYOIRBIT-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₀H₁₄O
Molecular Weight: 150.22

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 11

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Evidence Supporting This Chemical as an Emerging Contaminant

Liu, D., Liu, J., Guo, M., Xu, H., Zhang, S., Shi, L.,& Yao, C. (2016). Occurrence, distribution, and risk assessment of alkylphenols, bisphenol A, and tetrabromobisphenol A in surface water, suspended particulate matter, and sediment in Taihu Lake and its tributaries. Marine Pollution Bulletin 112, 142?150.

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