Synonyms: "2-ethylhexyl p-hydroxybenzoate", "2-ethylhexylparaben", "2-ethylhexyl-4-hydroxybenzoate", "2-methylhexyl p-hydroxybenzoate"
Source: 2-ethylhexyl-4-hydroxybenzoate is an industrial additive.
IUPAC Name: 2-ethylhexyl 4-hydroxybenzoate
CAS Number: 5153-25-3
PubChem ID: 107377
Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)O
Molecular Formula: C15H22O3
Molecular Weight: 250,3334
Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 18
2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)
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ACToR (Aggregated Computational Toxicology Resource)
HSDB (Hazardous Substances Data Bank)
CCRIS (Chemical Carcinogenesis Research Information System)
CTD (Comparative Toxicogenomics Database)
IRIS (Integrated Risk Information System)
ITER (International Toxicity Estimates for Risk)
Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
Akahori Y, Nakai M, Yamasaki K, Takatsuki M, Shimohigashi Y, Ohtaki M. 2008. Relationship between the results of in vitro receptor binding assay to human estrogen receptor alpha and in vivo uterotrophic assay: Comparative study with 65 selected chemicals. Toxicol in Vitro 22(1):225-231.
Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.
Schultz TW, Sinks GD, Cronin MTD. 2000. Effect of substituent size and dimensionality on potency of phenolic xenoestrogens evaluated with a recombinant yeast assay. Environ Toxicol Chem 19(11):2637-2642.