2-Butanol

Athanor · official

C₄H₁₀O · 74.12 g/mol

IUPAC name: butan-2-ol

Also called sec-butanol, butan-2-ol

Reagents Solvents

Open in Athanor

Drawn from its SMILES with RDKit

WarningFlammable liquid and vapor · Causes serious eye irritation · May cause respiratory irritation · May cause drowsiness or dizziness

Names and identifiers

IUPAC name: butan-2-ol
Synonyms: sec-butanol, butan-2-ol, Butan-2-ol
+ 36 more
sec-Butanol, SEC-BUTYL ALCOHOL, 2-Butyl alcohol, Butylene hydrate, 1-Methyl-1-propanol, Methyl ethyl carbinol, 1-Methylpropyl alcohol, Ethyl methyl carbinol, Butanol secondaire, Butanol-2, 1-Methyl propanol, Methylethylcarbinol, Ethylmethyl carbinol, Butyl alcohol, sec-, Alcool butylique secondaire, Methylethyl carbinol, CCS 301, DL-sec-Butanol, DTXSID9021762, 0TUL3ENK62, NSC-25499, DTXCID101762, CHEBI:35687, racemic-2-butanol, DL-Butan-2-ol, dl-Methylethylcarbinol, RefChem:6602, (+-)-2-butanol, 201-158-5, 240-029-8, 2-Hydroxybutane, s-Butyl alcohol, s-Butanol, (+/-)-2-Butanol, MFCD00004569, Butanol secondaire [French]
Molecular formula: C₄H₁₀O
Empirical formula: C₄H₁₀O
Molecular weight: 74.12 g/mol
Exact mass: 74.07316
CAS number: 78-92-2
PubChem CID: 6568
Canonical SMILES: CCC(C)O
Isomeric SMILES: CCC(C)O
InChI: InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKey: BTANRVKWQNVYAZ-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless liquid[6]
6 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Sec-butyl alcohol appears as a clear colorless liquid with an alcohol odor. Flash point below 0 °F. Less dense than water. Vapors heavier than air. Soluble in water. Moderately irritates the eyes and skin. Prolonged and repeated contact may cause defatting and drying of the skin. Vapors may irritate the nose, throat and respiratory tract. May be harmful by ingestion. [1] CAMEO Chemicals
– Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless liquid with a strong, pleasant odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless liquid with a strong, pleasant odor. [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Colorless liquid [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 175
Odor: Sweet[6]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
–shown Sweet [6] Hazardous Substances Data Bank (HSDB)cites Verschueren, K. Handbook of Environmental Data on Organic Chemicals. 3rd ed. New York, NY: Van Nostrand Reinhold Co., 1996., p. 353
– Wine odor liquid [6] Hazardous Substances Data Bank (HSDB)cites ITII. Toxic and Hazarous Industrial Chemicals Safety Manual. Tokyo, Japan: The International Technical Information Institute, 1982., p. 85
– Strong, pleasant odor [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 40
Melting point: -115 °C[3]
6 values
5 of 6 sources agree on it (most common value).
Value As written Source
−115 °C -175 °F (NIOSH, 2024) [1] CAMEO Chemicals
−114 °C -114 °C [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 175
−115 °Cshown -115 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−115 °C -175 °F [4] Occupational Safety and Health Administration (OSHA)
−89 °C -89 °C [7] PAC Chemical Database, U.S. Department of Energy
−115 °C -175 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 100 °C[3]
6 values
6 of 6 sources agree on it (most common value).
Value As written Source
99 °C 211 °F at 760 mmHg (NIOSH, 2024) [1] CAMEO Chemicals
99.5 °C 99.5 °C [6] Hazardous Substances Data Bank (HSDB)cites Snyder, R. (ed.). Ethel Browning's Toxicity and Metabolism of Industrial Solvents. Second Edition. Volume 3 Alcohols and Esters. New York, NY: Elsevier, 1992., p. 54
100 °Cshown 100 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
99 °C 211 °F [4] Occupational Safety and Health Administration (OSHA)
99.5 °C 99.5 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
99 °C 211 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 0.808 @ 20°C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
– 0.81 (NIOSH, 2024) - Less dense than water [1] CAMEO Chemicals
– Relative density (water = 1): 0.81 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.81 [4] Occupational Safety and Health Administration (OSHA)
–shown 0.808 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
– 0.81 [5] The National Institute for Occupational Safety and Health (NIOSH)
7 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Solubility in water: Solubility in water, g/100ml at 25 °C: ≈21 (good)[3]
5 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– 16 % (NIOSH, 2024) [1] CAMEO Chemicals
– 125,000 mg/l water at 20 °C [6] Hazardous Substances Data Bank (HSDB)cites Verschueren, K. Handbook of Environmental Data on Organic Chemicals. 3rd ed. New York, NY: Van Nostrand Reinhold Co., 1996., p. 353
– In water, 181,000 mg/l @ 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Hefter GT; Solub Data Ser 15: 94-119 (1984)
–shown Solubility in water, g/100ml at 25 °C: ≈21 (good) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 16% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 0.6[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow= 0.61 [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. 10
–shown 0.6 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
pKa: pKa = 17.6[6]
Vapor pressure: 18.3 mmHg @ 25 °C[6]
3 values
Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.
Value As written Source
18.3 mmHgshown 18.3 mm Hg @ 25 °C [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.
13 mmHg Vapor pressure, kPa at 20 °C: 1.7 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
10 mmHg 10 [mm Hg] @20 °C [7] PAC Chemical Database, U.S. Department of Energy
3 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Flash point: 24 °C c.c.[3]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
24 °C 75 °F (NIOSH, 2024) [1] CAMEO Chemicals
24 °C 24 °C (75 °F) (closed cup) [6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-20
24 °Cshown 24 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
24 °C 75 °F [4] Occupational Safety and Health Administration (OSHA)
24 °C 75 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 406 °C[3]
3 values
2 of 2 sources agree on it (most common value).
Value As written Source
406 °C 763 °F (406 °C) (IN AIR) [6] Hazardous Substances Data Bank (HSDB)cites Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 4582
377 °C 711 °F (377 °C) (IN OXYGEN) [6] Hazardous Substances Data Bank (HSDB)cites Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 4582
406 °Cshown 406 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: Reported, but no value passed the checks.
The value and why
3.8 mm²/s at 25 °C (could not be read; source [3])

Value	As written	Source
–	Sec-butyl alcohol appears as a clear colorless liquid with an alcohol odor. Flash point below 0 °F. Less dense than water. Vapors heavier than air. Soluble in water. Moderately irritates the eyes and skin. Prolonged and repeated contact may cause defatting and drying of the skin. Vapors may irritate the nose, throat and respiratory tract. May be harmful by ingestion.	[1] CAMEO Chemicals
–	Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless liquid with a strong, pleasant odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless liquid with a strong, pleasant odor.	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Colorless liquid	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 175

Value	As written	Source
–shown	Sweet	[6] Hazardous Substances Data Bank (HSDB)cites Verschueren, K. Handbook of Environmental Data on Organic Chemicals. 3rd ed. New York, NY: Van Nostrand Reinhold Co., 1996., p. 353
–	Wine odor liquid	[6] Hazardous Substances Data Bank (HSDB)cites ITII. Toxic and Hazarous Industrial Chemicals Safety Manual. Tokyo, Japan: The International Technical Information Institute, 1982., p. 85
–	Strong, pleasant odor	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 40

Value	As written	Source
−115 °C	-175 °F (NIOSH, 2024)	[1] CAMEO Chemicals
−114 °C	-114 °C	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 175
−115 °Cshown	-115 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−115 °C	-175 °F	[4] Occupational Safety and Health Administration (OSHA)
−89 °C	-89 °C	[7] PAC Chemical Database, U.S. Department of Energy
−115 °C	-175 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
99 °C	211 °F at 760 mmHg (NIOSH, 2024)	[1] CAMEO Chemicals
99.5 °C	99.5 °C	[6] Hazardous Substances Data Bank (HSDB)cites Snyder, R. (ed.). Ethel Browning's Toxicity and Metabolism of Industrial Solvents. Second Edition. Volume 3 Alcohols and Esters. New York, NY: Elsevier, 1992., p. 54
100 °Cshown	100 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
99 °C	211 °F	[4] Occupational Safety and Health Administration (OSHA)
99.5 °C	99.5 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
99 °C	211 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	0.81 (NIOSH, 2024) - Less dense than water	[1] CAMEO Chemicals
–	Relative density (water = 1): 0.81	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.81	[4] Occupational Safety and Health Administration (OSHA)
–shown	0.808 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–	0.81	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	16 % (NIOSH, 2024)	[1] CAMEO Chemicals
–	125,000 mg/l water at 20 °C	[6] Hazardous Substances Data Bank (HSDB)cites Verschueren, K. Handbook of Environmental Data on Organic Chemicals. 3rd ed. New York, NY: Van Nostrand Reinhold Co., 1996., p. 353
–	In water, 181,000 mg/l @ 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Hefter GT; Solub Data Ser 15: 94-119 (1984)
–shown	Solubility in water, g/100ml at 25 °C: ≈21 (good)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	16%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow= 0.61	[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. 10
–shown	0.6	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
18.3 mmHgshown	18.3 mm Hg @ 25 °C	[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.
13 mmHg	Vapor pressure, kPa at 20 °C: 1.7	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
10 mmHg	10 [mm Hg] @20 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
24 °C	75 °F (NIOSH, 2024)	[1] CAMEO Chemicals
24 °C	24 °C (75 °F) (closed cup)	[6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-20
24 °Cshown	24 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
24 °C	75 °F	[4] Occupational Safety and Health Administration (OSHA)
24 °C	75 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
406 °C	763 °F (406 °C) (IN AIR)	[6] Hazardous Substances Data Bank (HSDB)cites Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 4582
377 °C	711 °F (377 °C) (IN OXYGEN)	[6] Hazardous Substances Data Bank (HSDB)cites Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 4582
406 °Cshown	406 °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: 5
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 1
H-bond acceptors: 1
Rotatable bonds: 1
TPSA (Å²): 20.2
Formal charge: 0
XLogP3: 0.6 PubChem
Complexity: 19 PubChem
Stereocenters: 0 defined, 1 undefinedCIP: C3: undefined
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

C64.82%
H13.60%
O21.58%

Isotope pattern

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: 0.78 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.72 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.43 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 74.12
log P ≤ 5 (Crippen): 0.78
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

Warning

Harmonized EU classification (CLP Annex VI). Source [8].

Flammable
Harmful or irritant

NFPA 704[6]

H226Flammable liquid and vapor
H319Causes serious eye irritation
H335May cause respiratory irritation
H336May cause drowsiness or dizziness

Precautionary statements: P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501

View all classifications (5)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · WarningH226, H319, H335, H336
[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · WarningH226, H319, H335, H336
[9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2777) of reports.
[9] European Chemicals Agency (ECHA) · 2,777 reports · WarningH335, H336
[9] European Chemicals Agency (ECHA) · 356 reports · WarningH226, H319, H335, H336

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 150 ppm (450 mg/m³)[4]
PEL: TWA 150 ppm (450 mg/m3) See Appendix G[5]
REL-TWA (Time Weighted Average): 100 ppm (305 mg/m³)[4]
REL-STEL (Short Term Exposure Limit): 150 ppm (455 mg/m³)[4]
REL: TWA 100 ppm (305 mg/m3) ST 150 ppm (455 mg/m3)[5]
TLV: 100 ppm as TWA[3]

First aid

Excerpt from NIOSH Pocket Guide for sec-Butyl alcohol: Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Skin: Water flush promptly - If this chemical contacts the skin, flush the contaminated skin with water promptly. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water promptly.[1]
(General first aid procedures) Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Skin: Water flush promptly - If this chemical contacts the skin, flush the contaminated skin with water promptly. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water promptly.[5]
Fresh air, rest. Refer for medical attention.[3]
Remove contaminated clothes. Rinse skin with plenty of water or shower.[3]

Storage

Fireproof. Separated from strong oxidants and aluminium.[3]
... Store IN places THAT ARE COOL ... Provide adequate ventilation ... Locate ... Storage AREA WELL AWAY FROM areas OF FIRE hazard ... KEEP ... FROM powerful oxidizing agents ... Explosives, OR materials which react WITH AIR OR moisture TO evolve HEAT.[6]

Incompatibilities

Contact with strong oxidizers may cause fires and ... Explosions.[6]
Butanol, used as a solvent in an autoclave preparation at 100 °C, severely attacked the aluminum gasket, liberating hydrogen which caused a sharp rise in pressure. (butanol)[6]
Strong oxidizers, organic peroxides, perchloric & permonosulfuric acids.[6]
Ignites on contact with chromium trioxide.[6]

Safety data sheets on the supplier’s page: Finetech Industry Limited, Hairui Chemical, 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]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
[5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
[6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[7]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[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]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[10]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[11]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[12]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[13]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[14]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.