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: 144,2114

Pharmacophore Features:

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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

ITER (International Toxicity Estimates for Risk)

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.

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