2-ethylhexyl-4-methoxycinnamate

Synonyms: octylmethoxycinnamate, "octinoxate", "octyl methoxycinnamate", "parsol", "escalol", "2-ethylhexyl p-methoxycinnamate"

Source: 2-ethylhexyl-4-methoxycinnamate is mainly used in cosmetics.

Identifiers:

IUPAC Name: 2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CAS Number: 5466-77-3
PubChem ID: 5355130
InChiKey: YBGZDTIWKVFICR-JLHYYAGUSA-N
Canonical SMILES: CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC

Structural Properties:

Molecular Formula: C₁₈H₂₆O₃
Molecular Weight: 290.4

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 21

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Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

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2D-structure

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