moleculefinder

Hexane

C6H1486.18 g/mol Calculated

Also called hexyl hydride.

The solvent used to press the last oil out of soybeans and to formulate some glues and cleaners. It is a six-carbon chain from petroleum.

Sources and notes
  • The introductionfrom sourceMoleculeFinder curated
  • Other namesfrom sourceWikidataIts English label and aliases on Wikidata.
  • Formula and weightcomputedPubChem
  • 2D drawingcomputedPubChem structure, drawn by RDKit
  • 3D modelfrom sourcePubChem 3D conformerLoaded after the page has painted, and on a phone only when you ask for it; the 2D drawing shows until it arrives.

Properties and sources

Calculated by PubChem

Molecular formula
C6H14
Molecular weight
86.18 g/mol
XLogP3octanol/water, log units
3.9
Polar surface areatopological
0 Ų
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
3
Complexity
12

Measured LD50, HSDB via PubChem

5,000 mg/kg pure hexane, mouse, oral

An LD50 is an animal study measurement, not a dose for a person.

Reported Hazard label (GHS), ECHA, EU CLP Regulation, Safe Work Australia via PubChem

Danger Flammable pictogram (GHS02), Irritant pictogram (GHS07), Health hazard pictogram (GHS08) and Environmental pictogram (GHS09); hazard statements H225, H304, H315, H317, H319, H336, H361, H372, H373, H411, H412

Groups it belongs to

Category
Everyday chemistry
Family
Alkanes
Hazard classes
Flammable, Irritant, Health hazard, Environmental hazard, GHS Danger
Size
Under 100 g/mol
SMILESCCCCCC

PubChem CID 8058 · Wikidata Q150440 · InChIKey VLKZOEOYAKHREP-UHFFFAOYSA-N · Data refreshed

How MoleculeFinder sources and labels its data

Questions
What is Hexane?
The solvent used to press the last oil out of soybeans and to formulate some glues and cleaners. It is a six-carbon chain from petroleum.
How toxic is Hexane?
The reported LD50 of Hexane is 5,000 mg/kg (mouse, oral). An LD50 is an animal study measurement, not a dose for a person. Its GHS hazard label carries the signal word Danger and the hazard pictograms Flammable, Irritant, Health hazard and Environmental. from sourcefrom source
What kind of molecule is Hexane?
Hexane has the formula C6H14 and a molecular weight of 86.18 g/mol. MoleculeFinder files it under alkanes, in the everyday chemistry group. from sourcefrom sourcefrom sourcefrom source
What else is Hexane called?
Hexane is also called hexyl hydride. from source
Sources and notes
  • Calculated valuescomputedPubChemComputed from the structure, so no laboratory conditions apply; complexity is PubChem's own structural score.
  • LD50from sourceHSDB via PubChem
  • Hazard labelfrom sourceECHA, EU CLP Regulation, Safe Work Australia via PubChemThe label combines these classifications.
  • ECHAfrom sourceAttributionSource: European Chemicals Agency, echa.europa.eu.
  • EU CLP Regulationfrom sourceAttributionSource: EUR-Lex, Regulation (EC) No 1272/2008, © European Union.
  • Safe Work Australiafrom sourceAttributionSource: Safe Work Australia, Hazardous Chemical Information System, © Commonwealth of Australia, CC BY 4.0.
  • Data refreshedfrom sourceMoleculeFinder2026-11-09

Keep exploring

Also an alkaneButaneC4H10Also an alkanePropaneC3H8A close match in shapeStearic acidC18H36O2A close match in shapePalmitic acidC16H32O2
More related molecules
Sources and notes
  • The same kind of moleculefrom sourceMoleculeFinder curated groupsA structural neighbour in the same family or type group; the line names the group in its own words.
  • Similar in shapecomputedRDKit Morgan/TanimotoNeighbours by structural fingerprint; the sentence names the chemical groups the two share.
  • The drawingscomputedPubChem structures, drawn by RDKit