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Ethane

Athanor · official

C2H6 · 30.07 g/mol

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The structure of Ethane
Drawn from its SMILES with RDKit410
FlammableCompressed gasDangerExtremely flammable gas

Names and identifiers

IUPAC name
ethane
Synonyms
Bimethyl, Dimethyl, Methylmethane
+ 35 more

Ethyl hydride, DTXSID6026377, L99N5N533T, CHEBI:42266, RefChem:138120, DTXCID106377, 200-814-8, 428-270-9, C2H6, MFCD00009023, SCHEMBL45, HSDB 941, EINECS 200-814-8, UN1961, UNII-L99N5N533T, Humulene monoxide, Humulene oxide I, Humulene I epoxide, D-Lys20-Tirzepatide, ETHANE-D, Des-Asp15-Tirzepatide, Des-Leu26-Tirzepatide, ETHANE [HSDB], ETHANE [MI], Ethane, >=99%, SCHEMBL178, Ethane, 99.99%, EC 200-814-8, Ethane, refrigerated liquid, SCHEMBL2831, SCHEMBL38297, [beta-Asp8]Terlipressin TFA, SCHEMBL120998, SCHEMBL170735, SCHEMBL210216

Molecular formula
C2H6
Empirical formula
CH3
Molecular weight
30.07 g/mol
Exact mass
30.04695
CAS number
74-84-0
PubChem CID
6324
Canonical SMILES
CC
Isomeric SMILES
CC
InChI
InChI=1S/C2H6/c1-2/h1-2H3
InChIKey
OTMSDBZUPAUEDD-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity
Appearance
Ethane appears as a colorless odorless gas. It is easily ignited. The vapors are heavier than air. It can asphyxiate by the displacement of air. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket. Contact with the liquid may cause frostbite.[1]
4 values

From CAMEO Chemicals, the most authoritative source here.

ValueAs writtenSource
–shownEthane appears as a colorless odorless gas. It is easily ignited. The vapors are heavier than air. It can asphyxiate by the displacement of air. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket. Contact with the liquid may cause frostbite.[1] CAMEO Chemicals
–Ethane, refrigerated liquid appears as a colorless odorless very cold liquid. Boils at -88.6 °C. Easily ignited and a flame can flash back to the source of a leak very easily. Vapors are heavier than air. Vapors can asphyxiate by the displacement of air from enclosed spaces. Direct contact can cause frostbite. Contact of very cold liquid with water may result in vigorous or violent boiling. If the water is hot, there is the possibility that a liquid "superheat" explosion may occur. Pressures may build to dangerous levels if liquid gas contacts water in a closed container. Under prolonged expos[1] CAMEO Chemicals
–Liquid; Gas Vapor[2] EPA Chemical Data Reporting (CDR)
–COLOURLESS COMPRESSED LIQUEFIED GAS. ODOURLESS WHEN PURE.[3] ILO-WHO International Chemical Safety Cards (ICSCs)
Melting point
-173.3 °C (-279.9 °F, USCG 1999)[1]
3 values

2 of 3 sources agree on it (most common value).

ValueAs writtenSource
−173.3 °Cshown-279.9 °F (USCG, 1999)[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
−183 °C-183 °C[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−172 °C-172 °C[5] PAC Chemical Database, U.S. Department of Energy
Boiling point
-88.6 °C (-127.5 °F) at 760 mmHg (USCG, 1999)[1]
3 values

3 of 3 sources agree on it (most common value).

ValueAs writtenSource
−88.6 °Cshown-127.5 °F at 760 mmHg (USCG, 1999)[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
−89 °C-89 °C[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−88.6 °C-88.6 °C @760 [mm Hg][5] PAC Chemical Database, U.S. Department of Energy
Density
0.446 as liq[5]
2 values

Sources disagree; from PAC Chemical Database, U.S. Department of Energy, the most authoritative.

ValueAs writtenSource
–0.546 at -127.48 °F (USCG, 1999) - Less dense than water[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–shown0.446 as liq[5] PAC Chemical Database, U.S. Department of Energy

2 more values were reported but failed the checks (unreadable or out of range), so they are not shown.

Solubility in water
Solubility in water, ml/100ml at 20 °C: (very poor)[3]
4 values

From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.

ValueAs writtenSource
–In water, 60.2 mg/L at 25 °C[4] Hazardous Substances Data Bank (HSDB)cites McAuliffe C; J Phys Chem 70: 1267-75 (1966)
–60.4 ug/mL water at 20 °C[4] Hazardous Substances Data Bank (HSDB)cites Snyder, R. (ed.) Ethel Browning's Toxicity and Metabolism of Industrial Solvents. 2nd ed. Volume 1: Hydrocarbons. Amsterdam - New York - Oxford: Elsevier, 1987., p. 258
–Soluble in ether[4] Hazardous Substances Data Bank (HSDB)cites Snyder, R. (ed.) Ethel Browning's Toxicity and Metabolism of Industrial Solvents. 2nd ed. Volume 1: Hydrocarbons. Amsterdam - New York - Oxford: Elsevier, 1987., p. 258
–shownSolubility in water, ml/100ml at 20 °C: (very poor)[3] ILO-WHO International Chemical Safety Cards (ICSCs)
log P
1.81[3]
2 values

2 of 2 sources agree on it (most common value).

ValueAs writtenSource
–log Kow = 1.81[4] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 4
–shown1.81[3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure
Vapor pressure, kPa at 20 °C: 3850[3]
Flash point
-135 °C (-211 °F) - closed cup[4]
2 values

2 of 2 sources agree on it (most common value).

ValueAs writtenSource
−135 °C-211 °F (USCG, 1999)[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
−135 °Cshown-135 °C (-211 °F) - closed cup[4] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich Material Safety Data Sheet for ethane. Product number 539775. Version 3.3. (December 28, 2012). Available from, as of November 7, 2013. https://www.sigmaaldrich.com/catalog/product/aldrich/539775?lang=en&region=US
Autoignition temperature
472 °C[3]
3 values

2 of 3 sources agree on it (most common value).

ValueAs writtenSource
504 °C940 °F (USCG, 1999)[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
472 °C882 °F (472 °C)[4] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-55
472 °Cshown472 °C[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms
2
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
1
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
TPSA (Ų)
0
Formal charge
0
XLogP3
1.3 PubChem
Complexity
0 PubChem
Stereocenters
None
Double-bond geometry
None specified
Point group
D3d of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C79.89%
  • H20.11%

Isotope pattern

100%30.0472.2%31.050

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
1.03 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-0.67 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.75 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 30.07
  • log P ≤ 5 (Crippen): 1.03
  • H-bond donors ≤ 5: 0
  • H-bond acceptors ≤ 10: 0

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Harmonized EU classification (CLP Annex VI). Source [6].

  • Flammable
  • Compressed gas
410
NFPA 704[4]
  • H220Extremely flammable gas

Precautionary statements: P203, P210, P222, P280, P377, P381, P403

View all classifications (2)
  • [6] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH220
  • [7] European Chemicals Agency (ECHA) · 647 reports · DangerH220, H280, H281

First aid

  • Remove from exposure; support respiration. (USCG, 1999)[1]
  • Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]: Refer to the "General First Aid" section. Specific First Aid: Clothing frozen to the skin should be thawed before being removed. In case of contact with liquefied gas, only medical personnel should attempt thawing frosted parts. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. (ERG, 2024)[1]
  • General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[8]
  • General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[8]

Storage

  • Fireproof. Cool. Separated from strong oxidants and halogens.[3]
  • Keep container tightly closed in a dry and well-ventilated place.[4]
  • Storage temp: -89 °C (-128 °F); venting: Safety relief[4]

Incompatibilities

  • Chlorine dioxide mixed with ... Ethane ... Always explodes spontaneously.[4]
  • Incompatible with chlorine, dioxygenyl tetrafluoroborate, oxidizing materials, heat or flame.[4]
  • Interaction (between chlorine and) ... Ethane over activated carbon at 350 °C has caused explosions, but added carbon dioxide reduces the risk ... The violent interaction of liquid chlorine injected into ethane at 80 °C/10 bar becomes very violent if ethylene is also present ...[4]
  • Strong oxidizing agents[4]

Safety data sheets on the supplier’s page: Molport, Angene Chemical, Smolecule.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
  2. [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
  3. [3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  4. [4]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  5. [5]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
  6. [6]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
  7. [7]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  8. [8]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
  9. [9]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  10. [10]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  11. [11]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  12. [12]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  13. [13]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  14. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  15. ·Literature on PubChem

Data last updated 2026-10-14.