n-hexane

Synonyms: "hexane", "esani", "gettysolve-B", "hexanes", "hexyl hydride", "skellysolve B", "dipropyl", "hexan"

Source: hexane is used to extract edible oils from seeds and vegetables, as a special-use solvent, and as a cleaning agent.

Identifiers:

IUPAC Name: hexane
CAS Number: 110-54-3
PubChem ID: 8058
InChiKey: VLKZOEOYAKHREP-UHFFFAOYSA-N
Canonical SMILES: CCCCCC

Structural Properties:

Molecular Formula: C6H14
Molecular Weight: 86,1754

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 6

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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)

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


Nylén P, Ebendal T, Eriksdotter-Nilsson M, Hansson T, Henschen A, Johnson AC, Kronevi T, Kvist U, Sjöstrand NO, Höglund G, Olson L. 1989. Testicular atrophy and loss of nerve growth factor-immunoreactive germ cell line in rats exposed to n-hexane and a protective effect of simultaneous exposure to toluene or xylene. Arch Toxicol 63(4):296-307.

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