propyl paraben

Synonyms: "propylparaben", "propyl 4-hydroxybenzoate", "nipazol", "4-hydroxybenzoic acid propyl ester", "betacide P", "nipasol P"

Source: propyl paraben is one of several parabens that has been used for decades as a preservative in personal care products and packaged foods.

Identifiers:

IUPAC Name: propyl 4-hydroxybenzoate
CAS Number: 94-13-3
PubChem ID: 7175
InChiKey: QELSKZZBTMNZEB-UHFFFAOYSA-N
Canonical SMILES: CCCOC(=O)C1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₀H₁₂O₃
Molecular Weight: 180.201

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 13

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Byford JR, Shaw LE, Drew MG, Pope GS, Sauer MJ, Darbre PD. 2002. Oestrogenic activity of parabens in MCF7 human breast cancer cells. Journal of Steroid Biochemistry & Molecular Biology 80(1):49-60.

Chen JG, Ahn KC, Gee NA, Gee SJ, Hammock BD, Lasley BL. 2007. Antiandrogenic properties of parabens and other phenolic containing small molecules in personal care products. Toxicol Appl Pharmacol 221(3):278-284.

Gomez E, Pillon A, Fenet H, Rosain D, Duchesne MJ, Nicolas JC, Balaguer P, Casellas C. 2005. Estrogenic activity of cosmetic components in reporter cell lines: parabens, UV screens, and musks. J Toxicol Environ Health A 68(4):239-251.

Oishi S. 2002. Effects of propyl paraben on the male reproductive system. Food & Chemical Toxicology 40(12):1807-1813.

Song BL, Li HY, Peng DR. 1989. In vitro spermicidal activity of parabens against human spermatozoa. Contraception 39(3):331-335.