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Hexane

Not to be confused with hexene or hexyne.

Hexane
Skeletal formula of hexane
Skeletal formula of hexane
Skeletal formula of hexane with all implicit carbons shown, and all explicit hydrogens added
Skeletal formula of hexane with all implicit carbons shown, and all explicit hydrogens added
Ball and stick model of hexane
Ball and stick model of hexane
Spacefill model of hexane
Spacefill model of hexane
Names
Preferred IUPAC name
Hexane[2]
Other names
Sextane,[1] hexacarbane
Identifiers
3D model (JSmol)
1730733
ChEBI
ChEMBL
ChemSpider
DrugBank
ECHA InfoCard 100.003.435 Edit this at Wikidata
EC Number
  • 203-777-6
1985
KEGG
MeSH n-hexane
RTECS number
  • MN9275000
UNII
UN number 1208
  • InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 checkY
    Key: VLKZOEOYAKHREP-UHFFFAOYSA-N checkY
  • CCCCCC
Properties
C6H14
Molar mass 86.178 g·mol−1
Appearance Colorless liquid
Odor Petrolic
Density 0.6606 g mL−1[3]
Melting point −96 to −94 °C; −141 to −137 °F; 177 to 179 K
Boiling point 68.5 to 69.1 °C; 155.2 to 156.3 °F; 341.6 to 342.2 K
9.5 mg L−1
log P 3.764
Vapor pressure 17.60 kPa (at 20.0 °C)
7.6 nmol Pa−1 kg−1
UV-vis (λmax) 200 nm
−74.6·10−6 cm3/mol
1.375
Viscosity 0.3 mPa·s
0.08 D
Thermochemistry
265.2 J K−1 mol−1
296.06 J K−1 mol−1
−199.4–−198.0 kJ mol−1
−4180–−4140 kJ mol−1
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 Reproductive toxicity – After aspiration, pulmonary oedema, pneumonitis[4]
GHS labelling:
GHS02: Flammable GHS07: Exclamation mark GHS08: Health hazard GHS09: Environmental hazard
Danger
H225, H302, H305, H315, H336, H361fd, H373, H411
P201, P202, P210, P233, P235, P240, P241, P242, P243, P260, P264, P271, P273, P280, P281, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P308+P313, P310, P312, P314, P332+P313, P363, P370+P378, P391, P403+P233, P405, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
1
3
0
Flash point −26.0 °C (−14.8 °F; 247.2 K)
234.0 °C (453.2 °F; 507.1 K)
Explosive limits 1.2–7.7%
Lethal dose or concentration (LD, LC):
25 g kg−1 (oral, rat)
28710 mg/kg (rat, oral)[6]
56137 mg/kg (rat, oral)[6]
NIOSH (US health exposure limits):
PEL (Permissible)
 TWA 500 ppm (1800 mg/m3)[5]
REL (Recommended)
 TWA 50 ppm (180 mg/m3)[5]
IDLH (Immediate danger)
 1100 ppm[5]
Related compounds
Related alkanes
Supplementary data page
Hexane (data page)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Hexane (/ˈhɛkseɪn/) or n-hexane is an organic compound, a straight-chain alkane with six carbon atoms and the molecular formula C6H14.[7]

Hexane is a colorless liquid, odorless when pure, and with a boiling point of approximately 69 °C (156 °F). It is widely used as a cheap, relatively safe, largely unreactive, and easily evaporated non-polar solvent, and modern gasoline blends contain about 3% hexane.[8]

The term hexanes refers to a mixture, composed largely (>60%) of n-hexane, with varying amounts of the isomeric compounds 2-methylpentane and 3-methylpentane, and possibly, smaller amounts of nonisomeric C5, C6, and C7 (cyclo)alkanes. These "hexanes" mixtures are cheaper than pure hexane and are often used in large-scale operations not requiring a single isomer (e.g., as cleaning solvent or for chromatography).

  1. ^ Hofmann, August Wilhelm Von (1 January 1867). "I. On the action of trichloride of phosphorus on the salts of the aromatic monamines". Proceedings of the Royal Society of London. 15: 54–62. doi:10.1098/rspl.1866.0018. S2CID 98496840.
  2. ^ "n-hexane – Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 16 September 2004. Identification and Related Records. Archived from the original on 8 March 2012. Retrieved 31 December 2011.
  3. ^ William M. Haynes (2016). CRC Handbook of Chemistry and Physics (97th ed.). Boca Raton: CRC Press. pp. 3–298. ISBN 978-1-4987-5429-3.
  4. ^ GHS Classification on [PubChem]
  5. ^ a b c NIOSH Pocket Guide to Chemical Hazards. "#0322". National Institute for Occupational Safety and Health (NIOSH).
  6. ^ a b "n-Hexane". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
  7. ^ PubChem. "n-HEXANE". pubchem.ncbi.nlm.nih.gov. Retrieved 3 November 2023.
  8. ^ "n-Hexane - Hazardous Agents". Haz-Map. Retrieved 7 July 2022.
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