Nonylphenol diethoxylate

Synonyms: "4-Nonyl Phenol-13C6 Diethoxylate", "4-n-Nonylphenol Diethoxylate-13C6", "Diethylene Glycol p-Nonylphenyl Ether-13C6", "2-[2-(p-Nonylphenoxy)ethoxy]ethanol-13C6", "2-[2-(4-nonylphenoxy)ethoxy]ethanol-13C6", "Diethylene Glycol Mono-p-nonylphenyl Ether-13C6"

Source: Nonylphenol diethoxylate (NP2EO) is used in a variety of products including deicing agents, detergents, and antiseptic cleaners.

Identifiers:

IUPAC Name: 2-[2-(4-nonyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxyethoxy]ethanol
CAS Number: n/a
PubChem ID: 71751161
InChiKey: BLXVTZPGEOGTGG-AUGRNHFJSA-N
Canonical SMILES: CCCCCCCCCC1=CC=C(C=C1)OCCOCCO

Structural Properties:

Molecular Formula: C₁₉H₃₂O₃
Molecular Weight: 314.41

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 22

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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