Cumene

Synonyms: Cumene, "Isopropylbenzene","2-Phenylpropane", "(1-Methylethyl)benzene", "Cumol", "Benzene, (1-methylethyl)-", "Isopropylbenzol", "Cumeen", "Isopropilbenzene", "Isopropylbenzeen", "2-Fenilpropano", "2-Fenyl-propaan", "Propan-2-ylbenzene", "Isopropyl-benzol", "Benzene, isopropyl", "Propane, 2-phenyl", "i-propylbenzene", "Phenol bottoms", "(1-methylethyl)-benzen", "Polyphenyl residue", "(Methylethyl)benzene", "(propan-2-yl)benzene", "Isopropylbenzen"

Source: cumene is a chemical intermediate used for the production of phenol and acetone.

Identifiers:

IUPAC Name: cumene
CAS Number: 98-82-8
PubChem ID: 7406
InChiKey: RWGFKTVRMDUZSP-UHFFFAOYSA-N
Canonical SMILES: CC(C)C1=CC=CC=C1

Structural Properties:

Molecular Formula: C₉H₁₂
Molecular Weight: 120,190

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 9

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Evidence Supporting This Chemical as an Emerging Contaminant

Baldwin, A. K., Corsi, S. R., De Cicco, L. A., Lenaker, P. L., Lutz, M. A., Sullivan, D. J., & Richards, K. D. (2016). Organic contaminants in Great Lakes tributaries: Prevalence and potential aquatic toxicity. Science of the Total Environment, 554, 42-52.

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