2-Ethylhexyl 4-(dimethylamino)benzoate

Synonyms: Padimate O, "2-ethylhexyl 4-dimethylaminobenzoate", "Escalol 507", "Padimate-O", "Octyl dimethyl PABA", "Arlatone UVB", "2-Ethylhexyl p-dimethylaminobenzoate", "Eusolex 6007", "Sundown", "2-Ethylhexyl-4-dimethylaminobenzoate", "2-Ethylhexyl-p-dimethyl-aminobenzoate", "4-(Dimethylamino)benzoic acid 2-ethylhexyl ester", "2-Ethylhexyl p-(dimethylamino)benzoate", "Octyl dimethyl p-aminobenzoate"

Source: 2-Ethylhexyl 4-(dimethylamino)benzoate is an active sunscreen agent in cosmetics

Identifiers:

IUPAC Name: 2-ethylhexyl 4-(dimethylamino)benzoate
CAS Number: 21245-02-3
PubChem ID: 30541
InChiKey: WYWZRNAHINYAEF-UHFFFAOYSA-N
Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C

Structural Properties:

Molecular Formula: C₁₇H₂₇NO₂
Molecular Weight: 277,400

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 3
Number of atoms different from hydrogen: 20

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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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