Library

Ethanol

Athanor · official

C2H6O · 46.07 g/mol

Also called EtOH, ethyl alcohol, grain alcohol, absolute alcohol

Open in Athanor
The structure of Ethanol
Drawn from its SMILES with RDKit320
FlammableDangerHighly Flammable liquid and vapor

Names and identifiers

IUPAC name
ethanol
Synonyms
EtOH, ethyl alcohol, grain alcohol
+ 35 more

absolute alcohol, alcohol, Methylcarbinol, Ethyl hydroxide, Ethyl hydrate, Tecsol, Algrain, Anhydrol, Hydroxyethane, Alkohol, Jaysol S, Potato alcohol, Absolute ethanol, 1-Hydroxyethane, Ethanol 200 proof, Aethylalkohol, Denatured ethanol, Aethanol, Dehydrated ethanol, Alcool ethylique, etanol, Fermentation alcohol, Tecsol C, Alcool etilico, Alcohol, ethyl, Alcohol, diluted, Dehydrated alcohol, Etanolo, Jaysol, Etylowy alkohol, Alcohol dehydrated, Alkoholu etylowego, Ethyl alcohol usp, Synasol, Alcohol, anhydrous

Molecular formula
C2H6O
Empirical formula
C2H6O
Molecular weight
46.07 g/mol
Exact mass
46.04186
CAS number
64-17-5
PubChem CID
702
Canonical SMILES
CCO
Isomeric SMILES
CCO
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKey
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity
Appearance
Ethanol with a small amount of an adulterant added so as to be unfit for use as a beverage.[1]
6 values

From CAMEO Chemicals, the most authoritative source here.

ValueAs writtenSource
–shownEthanol with a small amount of an adulterant added so as to be unfit for use as a beverage.[1] CAMEO Chemicals
–Ethanol appears as a clear colorless liquid with a characteristic vinous odor and pungent taste. Flash point 55 °F. Density 6.5 lb / gal. Vapors are heavier than air.[1] CAMEO Chemicals
–Liquid; Wet Solid; CBI; Gas Vapor; Gas Vapor; Liquid; Wet Solid; Liquid[2] EPA Chemical Data Reporting (CDR)
–COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–Clear, colorless liquid with a weak, ethereal, vinous odor.[4] Occupational Safety and Health Administration (OSHA)
–Clear, colorless liquid with a weak, ethereal, vinous odor.[5] The National Institute for Occupational Safety and Health (NIOSH)
Odor
Alcohol odor[6]
3 values

From Hazardous Substances Data Bank (HSDB), the most authoritative source here.

ValueAs writtenSource
–Fragrant odor[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V3: 1983
–shownAlcohol odor[6] Hazardous Substances Data Bank (HSDB)cites NOAA; CAMEO Chemicals. Database of Hazardous Materials. Ethanol (64-17-5). Natl Ocean Atmos Admin, Off Resp Rest; NOAA Ocean Serv. Available from, as of Feb 14, 2018: https://cameochemicals.noaa.gov/
–Weak, ethereal, vinous odor[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg
Melting point
-114.14 °C[7]
5 values

5 of 5 sources agree on it (most common value).

ValueAs writtenSource
−114.1 °C-173.4 °F (NTP, 1992)[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
−114 °C-114 °C[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−114 °C-173 °F[4] Occupational Safety and Health Administration (OSHA)
−114.1 °Cshown-114.14 °C[7] PAC Chemical Database, U.S. Department of Energy
−114 °C-173 °F[5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point
78.29 °C @760 [mmHg][7]
5 values

5 of 5 sources agree on it (most common value).

ValueAs writtenSource
78.5 °C173.3 °F at 760 mmHg (NTP, 1992)[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
78 °C78 °C[3] ILO-WHO International Chemical Safety Cards (ICSCs)
78 °C173 °F[4] Occupational Safety and Health Administration (OSHA)
78.3 °Cshown78.29 °C @760 [mm Hg][7] PAC Chemical Database, U.S. Department of Energy
78 °C173 °F[5] The National Institute for Occupational Safety and Health (NIOSH)
Density
0.7893 @ 20°C[7]
5 values

5 of 5 sources agree on it (most common value).

ValueAs writtenSource
–0.79 at 68 °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.
–Relative density (water = 1): 0.79[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–0.79[4] Occupational Safety and Health Administration (OSHA)
–shown0.7893 @ 20°C[7] PAC Chemical Database, U.S. Department of Energy
–0.79[5] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water
Solubility in water: miscible[3]
4 values

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

ValueAs writtenSource
–greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–In water, miscible /1X10+6 mg/L/ at 25 °C[6] Hazardous Substances Data Bank (HSDB)cites Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 192
–shownSolubility in water: miscible[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–Miscible[5] The National Institute for Occupational Safety and Health (NIOSH)
log P
-0.32[3]
2 values

Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.

ValueAs writtenSource
–log Kow = -0.31[6] 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. 5
–shown-0.32[3] ILO-WHO International Chemical Safety Cards (ICSCs)
pKa
pKa = 15.9 at 25 °C[6]
Vapor pressure
59.3 mmHg at 25 °C (extrapolated)[6]
5 values

Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.

ValueAs writtenSource
40 mmHg40 mmHg at 66 °F[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
50 mmHg50 mmHg at 77 °F (NTP, 1992)[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
59.3 mmHgshown59.3 mm Hg at 25 °C /Extrapolated/[6] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
44 mmHgVapor pressure, kPa at 20 °C: 5.8[3] ILO-WHO International Chemical Safety Cards (ICSCs)
75 mmHg75 [mm Hg] @29.2 °C[7] 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.

Flash point
12.0 °C c.c.[3]
6 values

5 of 5 sources agree on it (most common value).

ValueAs writtenSource
13 °C55 °F (NTP, 1992)[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
14.0 °C14.0 °C (57.2 °F) - closed cup[6] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for Ethyl alcohol, pure. Product Number: E7023, Version 4.12 (Revision Date 07/09/2015). Available from, as of August 29, 2017: https://www.sigmaaldrich.com/safety-center.html
13 °C55 °F (13 °C) (closed cup)[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-57
12.0 °Cshown12.0 °C c.c.[3] ILO-WHO International Chemical Safety Cards (ICSCs)
13 °C55 °F[4] Occupational Safety and Health Administration (OSHA)
13 °C55 °F[5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature
400 °C[3]
3 values

Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.

ValueAs writtenSource
365 °C689 °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.
363 °C685 °F (363 °C)[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-57
400 °Cshown400 °C[3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity
1.074 mPa*s at 20 °C[3]

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
3
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
TPSA (Ų)
20.2
Formal charge
0
XLogP3
-0.1 PubChem
Complexity
2 PubChem
Stereocenters
None
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C52.14%
  • H13.13%
  • O34.73%

Isotope pattern

100%46.0422.3%47.04548.046

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
0 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-0.12 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
1.98 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 46.07
  • log P ≤ 5 (Crippen): 0
  • H-bond donors ≤ 5: 1
  • H-bond acceptors ≤ 10: 1

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 [8].

  • Flammable
320
NFPA 704[6]
  • H225Highly Flammable liquid and vapor

Precautionary statements: P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

View all classifications (8)
  • [8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH225
  • [9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (5 of 13886) of reports.
  • [9] European Chemicals Agency (ECHA) · 13,886 reports · DangerH319
  • [9] European Chemicals Agency (ECHA) · WarningH319, H412
  • [9] European Chemicals Agency (ECHA) · WarningH315, H319, H412
  • [9] European Chemicals Agency (ECHA) · WarningH315, H319, H412
  • [9] European Chemicals Agency (ECHA) · WarningH315, H319, H412
  • [6] Hazardous Substances Data Bank (HSDB) · DangerH225, H319

Exposure limits

  • PEL-TWA (8-Hour Time Weighted Average): 1000 ppm (1900 mg/m³)[4]
  • PEL: TWA 1000 ppm (1900 mg/m3)[5]
  • TLV: 1000 ppm as STEL; A3 (confirmed animal carcinogen with unknown relevance to humans).[3]
  • TLV-STEL (Short Term Exposure Limit): 1000 ppm [2008][4]
  • IDLH: 3300 ppm ; Based on 10% of the lower explosive limit. [From npg: Ethyl alcohol] (NIOSH, 2024)[1]
  • IDLH: 3300 ppm ; Based on 10% of the lower explosive limit. (NIOSH, 2024)[1]

First aid

  • Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: Refer to the "General First Aid" section. Specific First Aid: Wash skin with soap and water. 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]
  • Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[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…[10]
  • 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…[10]

Storage

  • Fireproof. Separated from : See Chemical Dangers.[3]
  • Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Hygroscopic. Storage class (TRGS 510): Flammable liquids[6]
  • Storage temp: Ambient. Venting: Open (flame arrester) or pressure vacuum.[6]
  • Protect containers against physical damage. Underground storage tanks outside the building is preferred for use of large quantities. Small amt may be stored outside the building in the original shipping containers. ... Should not be stored with perchlorates, peroxides, chromic acid and nitric acid.[6]

Incompatibilities

  • Incompatible materials: Alkali metals, oxidizing agents, peroxides.[6]
  • Many explosions have been experienced during the gravimetric determination of either perchlorates or potassium as potassium perchlorate by a standard method involving ethanol extraction. During subsequent heating, formation and explosion of ethyl perchlorate is very probable.[6]
  • Strong oxidizing agents such as chlorine, nitric acid, permanganate, or chromate in acid solution react, in some cases violently, with it to produce oxidation products.[6]
  • A solution of permanganic acid (or its explosive anhydride dimanganese heptoxide) ... Will explode on contact with ... Ethanol ... .[6]

Safety data sheets on the supplier’s page: Thermo Fisher Scientific, LGC Standards, Sigma-Aldrich.

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]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
  5. [5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
  6. [6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  7. [7]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
  8. [8]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
  9. [9]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  10. [10]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
  11. [11]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  12. [12]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  13. [13]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  14. [14]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  15. [15]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  16. [16]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  17. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  18. ·Literature on PubChem

Data last updated 2026-10-14.