N-Hexane

Properties, data and information sources.

Contents

n-Hexane is an organic chemical compound belonging to the alkane group.

Names and Identifiers

Name
N-Hexane

Formula
C₆H₁₄

Molar mass
86.178 (g/mol)

CAS registry number
110-54-3

EC number EINECS
203-777-6

InChI Key
VLKZOEOYAKHREP-UHFFFAOYSA-N

Other names, synonyms
Hexane; Hexacarbane; Sextane

INCI name
HEXANE

Trade names; preparations
Dipropyl; Esani; Gettysolve-B; Hexyl hydride

Chemical formulas

Molecular formula and structural formula of N-Hexane:

C₆H₁₄

M_r = 86.178 g/mol
SMILES: CCCCCC

Data and Properties

n-Hexane, in its pure state, is a clear, colorless liquid with a faint gasoline-like odor.

solubility:
+ Soluble in benzene, diethyl ether, ethanol.
- Unsoluble in water (0,010 g/L at 20 °C).
partition coefficient logP = 3.764.

melting point
-95.35 °C

boiling point
68.73 °C

flash point
-22 °C

ignition temperature
225 °C

density
0.659 g cm^-3 at 20 °C

vapor pressure
162 hPa at 20 °C

viscosity
0.4012 mPa s at 0 °C
0.3258 mPa s at 20 °C
0.2798 mPa s at 40 °C
0.2288 mPa s at 80 °C

surface tension
20.5 dyn/cm at 0 °C
18.4 dyn/cm at 20 °C
13.4 dyn/cm at 68 °C

refractive index
n_D = 1.3727 at 20 °C

standard enthalpy of formation
-198.7 kJ/mol at 25 °C[l]
-167.1 kJ/mol [g]

standard entropie
296.06 J/(mol K) at 25 °C [l]
388.82 J/(mol K) [g]

enthalpy of vaporization
28.85 kJ/mol at 68.73 °C

melting enthalpy
13.08 kJ/mol

enthalpy of combustion
-4.1632 MJ/mol at 25 °C

heat capacity
194.97 J/(mol K) at 25 °C [l]

critical points
T_c = 245.35 °C
p_c = 29.9 bar
ρ_c = 2.72 mol/L
V_c = 0.368 L/mol
ω_c = 0.30126

triple point
-95.1 °C; 1.23 Pa

permittivity
ε = 1.890 at 20 °C
(dielectric constant)

magnetic susceptibility χ
-74.6 × 10^-6 cm³ mol^-1

Spectroscopic data:

SPLASH (mass spectra)
splash10-0a4l-9000000000-8ab77db137ff0d1e75f0
splash10-054o-9000000000-2c1489cf6d4c005a89ae
splash10-052f-9000000000-d534432d96279fe04f73

MoNA Mass Bank of North America (mass spectrum)
VLKZOEOYAKHREP-UHFFFAOYSA-N

SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
8gMpI9Cumw7

NIST IR-Spektrum
N-Hexane

Human Metabolome Database (GC-MS, LC-MS/MS spectra, NMR)
HMDB0029600

Calculated NMR spectrum (Predict Spectra via NMRDB)
¹H NMR Spektrum, ¹³C NMR Spektrum.

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound N-Hexane - C₆H₁₄ - calculated based on molecular mass.

Symbol
Element ENumber x
of atoms E_xData of the element
and isotopes *Percentages
of isotopesPercentage of
E_x in formula massC
Carbon6 A_r = 12.011 u
ΣA_r = 72.066 u
¹²C: 12 u [98,94 %]
¹⁴C: 14.00324 u [<< 1 %]
¹³C: 13.00335 u [1,06 %]
¹²C: 82.73817 %
¹⁴C: trace
¹³C: 0.88642 %
83.6246 %H
Hydrogen14 A_r = 1.008 u
ΣA_r = 14.112 u
³H: 3.01605 u [<< 1 %]
¹H: 1.00783 u [99,99 %]
²H: 2.0141 u [0,01 %]
³H: trace
¹H: 16.37377 %
²H: 0.00164 %
16.3754 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

More calculated data

The molar mass is M = 86.178 grams per mole.

The amount of substance in one kilogram of the substance is n = 11.604 mol.

The amount of substance in one gram of the substance is n = 0.012 mol.

Monoisotopic mass: 86.1095504508 Da - related to ¹²C₆¹H₁₄.

N-Hexane as Active Ingredient

For detailed information on the active ingredient, see: , NCI Thesaurus C77545.

Use in Cosmetics

INCI Name: HEXANE

Solvent and viscosity-regulating component in cosmetics. Banned in the EU.

Source: CosIng (Cosmetic Ingredient Database) number: 84649.

Hazard warnings according to GHS

(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.

Signal word: Danger

GHS hazard statements (H phrases):

H225
Highly flammable liquid and vapour

H304
May be fatal if swallowed and enters airways

H315
Causes skin irritation

H319
Causes serious eye irritation

H336
May cause drowsiness or dizziness

H361
Suspected of damaging fertility or the unborn child

H373
May cause damage to organs through prolonged or repeated exposure

H411
Toxic to aquatic life with long lasting effects

n-Hexane forms flammable vapor-air mixtures with an explosive range between 1 and 8.9 vol.%.

Since 2026, n-hexane has been on the EU Candidate List and is therefore classified as a substance of very high concern (SVHC). This candidate substance exhibits specific target organ toxicity after repeated exposure (see ECHA below).

LD50 (rat, oral): 25000 mg/kg.

Labeling in the EU: See ECHA Substance Infocard 100.003.435.

For toxicology and occupational safety when handling N-Hexane as well as measures to be taken in case of danger, see: Hazardous Substances Information System GESTIS, ZVG-Nr. 510789.

International Chemical Safety Card ICSC (SDS, MSDS): See ICSC: 0279.

Note: The labeling requirement according to the CLP Regulation (EU) does not apply, among other things, to certain substances and mixtures for end users that are in the form of finished products, such as pharmaceuticals, veterinary drugs, cosmetics, certain medical products and medical devices, food or feed, as well as certain Food additives or flavorings. Special legal regulations may need to be adhered to here.

External Sources

PubChem:ID 8058ChemSpider:ID 7767Kegg database DBGET:ID C11271UNII of the FDA (USA):Unique Ingredient Identifier 2DDG612ED8EPA CompTox Chemicals Dashboard:DTXSID0021917Other CAS RN:8031-34-3 (also used, outdated or deleted registration numbers)

Manufacturers and Sources of Supply

The table below lists producers and suppliers of N-Hexane as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Hexane.

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Last update: 2026-02-16

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