butyl paraben

Synonyms: "butylparaben", "butyl 4-hydroxybenzoate", "butyl paraben", "butyl p-hydroxybenzoate", "n-butyl p-hydroxybenzoate", "butoben", "nipabutyl", "butyl chemosept"

Source: butyl Paraben is an antimicrobial agent used in cosmetic products.

Identifiers:

IUPAC Name: butyl 4-hydroxybenzoate
CAS Number: 94-26-8
PubChem ID: 7184
InChiKey: QFOHBWFCKVYLES-UHFFFAOYSA-N
Canonical SMILES: CCCCOC(=O)C1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₁H₁₄O₃
Molecular Weight: 194.227

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 14

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

Boberg J, Metzdorff S, Wortziger R, Axelstad M, Brokken L, Vinggaard AM, Dalgaard M, Nellemann C. 2008. Impact of diisobutyl phthalate and other PPAR agonists on steroidogenesis and plasma insulin and leptin levels in fetal rats. Toxicology 250(2-3):75-81.

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.

Song BL, Peng DR, Li HY, Zhang GH, Zhang J, Li KL, Zhao YQ. 1991. Evaluation of the effect of butyl p-hydroxybenzoate on the proteolytic activity and membrane function of human spermatozoa. J Reprod Fertil 91(2):435-440.

Taxvig C, Vinggaard AM, Hass U, Axelstad M, Boberg J, Hansen PR, Frederiksen H, Nellemann C. 2008. Do parabens have the ability to interfere with steroidogenesis? Toxicol Sci 106(1):206-213.