Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H11O3.Na |
| Molecular Weight | 250.2251 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[O-]C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2
InChI
InChIKey=JSMLEGBBJQVZGJ-UHFFFAOYSA-M
InChI=1S/C14H12O3.Na/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11;/h1-9,15H,10H2;/q;+1/p-1
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Oestrogenic activity of benzylparaben. | 2003 Jan-Feb |
|
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | 2006 Nov |
|
| Preliminary ecological risk assessment of butylparaben and benzylparaben -2. Fate and partitioning in aquatic environments. | 2007 |
|
| Preliminary ecological risk assessment of butylparaben and benzylparaben -1. Removal efficiency in wastewater treatment, acute/chronic toxicity for aquatic organisms, and effects on medaka gene expression. | 2007 |
|
| Final amended report on the safety assessment of Methylparaben, Ethylparaben, Propylparaben, Isopropylparaben, Butylparaben, Isobutylparaben, and Benzylparaben as used in cosmetic products. | 2008 |
|
| Evaluation of estrogenic activity of parabens and their chlorinated derivatives by using the yeast two-hybrid assay and the enzyme-linked immunosorbent assay. | 2009 Jan |
|
| Ultra-high-performance liquid chromatography-tandem mass spectrometry for determining the presence of eleven personal care products in surface and wastewaters. | 2009 Oct 16 |
|
| Metabolism of parabens (4-hydroxybenzoic acid esters) by hepatic esterases and UDP-glucuronosyltransferases in man. | 2010 |
|
| Urinary concentrations of four parabens in the U.S. population: NHANES 2005-2006. | 2010 May |
|
| Comparative study on transcriptional activity of 17 parabens mediated by estrogen receptor α and β and androgen receptor. | 2013 Jul |
Patents
Sample Use Guides
in mice (topical): of three daily doses of 33 mg to dorsal skin
in rats (intragastric): 0.16 mg/kg body up to 100 μg/kg body weight
Route of Administration:
Other
Benzylparaben was able to displace [(3)H]oestradiol from cytosolic oestrogen receptor (ER) of MCF7 human breast cancer cells by 22% at 1000-fold molar excess, by 40% at 10,000-fold molar excess, by 57% at 100 000-fold molar excess and by 100% at 1,000,000-fold molar excess. It was able to increase expression of a stably transfected oestrogen responsive reporter gene (ERE-CAT) in MCF7 cells after 24 h at 10(-5)M/10(-4)M and after 7 days at 10(-6)M/10(-5)M/10(-4)M. Proliferation of MCF7 cells could be increased by 10(-6)M/10(-5)M benzylparaben and this could be inhibited by 10(-7)M pure anti-oestrogen ICI 182,780, indicating that growth effects were ER mediated
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DBSALT002753
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5693-29-8
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71586812
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82W7I990AN
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DTXSID40205476
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PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
