2-ethylhexanoic acid

Synonyms: "2-ethylcaproic acid", "ethylhexoic acid", "2-ethylhexoic acid", "butylethylacetic acid"

Source: 2-ethylhexanoic acid is used as a drier in paints, enamels, varnishes and printing inks.

Identifiers:

IUPAC Name: 2-ethylhexanoic acid
CAS Number: 149-57-5
PubChem ID: 8697
InChiKey: OBETXYAYXDNJHR-UHFFFAOYSA-N
Canonical SMILES: CCCCC(CC)C(=O)O

Structural Properties:

Molecular Formula: C₈H₁₆O₂
Molecular Weight: 144.211

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 10

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

Lampen A, Zimnik S, Nau H. 2003. Teratogenic phthalate esters and metabolites activate the nuclear receptors PPARs and induce differentiation of F9 cells. Toxicol Appl Pharmacol 188(1):14-23, DOI: 10.1016/S0041-008X(03)00014-0.

Maloney EK, Waxman DJ. 1999. trans-Activation of PPARalpha and PPARgamma by structurally diverse environmental chemicals. Toxicol Appl Pharmacol 161(2):209-218.