2-ethylhexanol

Synonyms: "2-ethylhexan-1-ol", "2-ethylhexanol", "2-ethylhexyl alcohol", "ethylhexanol", "alcohol, 2-ethylhexyl", "Exxal 8N", "2-ethyl hexanol", "2-ethyhexanol", "2 ethylhex"

Source: 2-Ethylhexanol is mainly used as the alcohol component for the manufacture of ester plasticizers.

Identifiers:

IUPAC Name: 2-ethylhexan-1-ol
CAS Number: 104-76-7
PubChem ID: 7720
InChiKey: YIWUKEYIRIRTPP-UHFFFAOYSA-N
Canonical SMILES: CCCCC(CC)CO

Structural Properties:

Molecular Formula: C₈H₁₈O
Molecular Weight: 130.231

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 9

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kassotis CD, Klemp KC, Vu DC, Lin CH, Meng CX, Besch-Williford CL, Pinatti L, Zoeller RT, Drobnis EZ, Balise VD, et al. 2015 in press. Endocrine-disrupting activity of hydraulic fracturing chemicals and adverse health outcomes after prenatal exposure in male mice. Endocrinology:en20151375. DOI: 10.1210/en.2015-1375. URL: https://academic.oup.com/endo/article/156/12/4458/2422671.
Kassotis CD, Tillitt DE, Davis JW, Hormann AM, Nagel SC. 2014. Estrogen and androgen receptor activities of hydraulic fracturing chemicals and surface and ground water in a drilling-dense region. Endocrinology 155(3):897-907. DOI: 10.1210/en.2013-1697. URL: https://academic.oup.com/endo/article/155/3/897/2843268.