2-ethylhexyl-4-hydroxybenzoate

Synonyms: "2-ethylhexyl p-hydroxybenzoate", "2-ethylhexylparaben", "2-ethylhexyl-4-hydroxybenzoate", "2-methylhexyl p-hydroxybenzoate"

Source: 2-ethylhexyl-4-hydroxybenzoate is an industrial additive.

Identifiers:

IUPAC Name: 2-ethylhexyl 4-hydroxybenzoate
CAS Number: 5153-25-3
PubChem ID: 107377
InChiKey: VTIMKVIDORQQFA-UHFFFAOYSA-N
Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₅H₂₂O₃
Molecular Weight: 250.333

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 18

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

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.