1-Pentanol

Athanor · official

C₅H₁₂O · 88.15 g/mol

IUPAC name: pentan-1-ol

Also called amyl alcohol, pentyl alcohol

Reagents Solvents

Open in Athanor

Drawn from its SMILES with RDKit

WarningFlammable liquid and vapor · Causes skin irritation · Harmful if inhaled · May cause respiratory irritation

Names and identifiers

IUPAC name: pentan-1-ol
Synonyms: amyl alcohol, pentyl alcohol, Pentan-1-ol
+ 36 more
Amyl alcohol, N-Amyl alcohol, n-Pentanol, Pentyl alcohol, Butylcarbinol, Amylol, 1-Pentyl alcohol, Butyl carbinol, n-Butylcarbinol, n-Pentan-1-ol, N-PENTYL ALCOHOL, Pentanol-1, Pentasol, Alcool amylique, n-Amylalkohol, Primary amyl alcohol, Amyl alcohol, normal, Petan-1-ol, n-butyl carbinol, FEMA No. 2056, DTXSID6021741, 1-amyl alcohol, M9L931X26Y, NSC-5707, DTXCID101741, CHEBI:44884, RefChem:76882, 200-752-1, Pentanol, Amylalkohol, Pentanol (VAN), n-Amylalkohol [Czech], Amyl alcohol (natural), Alcool amylique [French], Pentylalkohol, pentyl-alcohol
Molecular formula: C₅H₁₂O
Empirical formula: C₅H₁₂O
Molecular weight: 88.15 g/mol
Exact mass: 88.08882
CAS number: 71-41-0
PubChem CID: 6276
Canonical SMILES: CCCCCO
Isomeric SMILES: CCCCCO
InChI: InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey: AMQJEAYHLZJPGS-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless liquid[4]
4 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– N-pentanol appears as a colorless liquid with a mild to moderately strong odor. Less dense than water. Flash point 91 °F. Boiling point 280 °F. Vapors heavier than air. Moderately toxic by ingestion. Vapors may irritate skin and eyes. Used as a solvent and to make other chemicals. [1] CAMEO Chemicals
– Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown Colorless liquid [4] 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. 71
Odor: Mild odor[4]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– CHARACTERISTIC FUSEL-LIKE ODOR [4] Hazardous Substances Data Bank (HSDB)cites Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 28
–shown Mild odor [4] 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. 71
Melting point: -79 °C (-110 °F, NTP 1992)[1]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
−79 °Cshown -110 °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.
−79 °C -79 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Boiling point: 138 °C[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
138 °C 280 °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.
138 °Cshown 138 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Density: 0.818 at 15 °C (59 °F) (USCG, 1999) - Less dense than water[1]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
–shown 0.818 at 59 °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): 0.8 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Solubility in water: Solubility in water, g/100ml at 20 °C: 2.2 (moderate)[3]
5 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– 10 to 50 mg/mL at 63 °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.
– Sol in acetone [4] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V4: 3893
– MISCIBLE WITH MOST ORG SOLVENTS [4] Hazardous Substances Data Bank (HSDB)cites Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 28
– In water, 22,000 mg/L at 25 °C [4] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan., Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. CRC Press LLC, Boca Raton, FL. 2003., p. 182
–shown Solubility in water, g/100ml at 20 °C: 2.2 (moderate) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
log P: 1.51[3]
Vapor pressure: Vapor pressure, kPa at 20 °C: 0.6[3]
4 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
1 mmHg 1 mmHg at 56.5 °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.
2.8 mmHg 2.8 mmHg at 68 °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.
2.2 mmHg 2.2 mm Hg at 25 °C [4] 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. 207
4.5 mmHgshown Vapor pressure, kPa at 20 °C: 0.6 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Flash point: 33 °C (91 °F) (CLOSED CUP)[4]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
33 °C 91 °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.
33 °Cshown 91 °F (33 °C) (CLOSED CUP) [4] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-14
43 °C 43 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Autoignition temperature: 320 °C[3]
3 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
360 °C 680 °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.
300 °C 572 °F (300 °C) [4] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-14
320 °Cshown 320 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: Reported, but no value passed the checks.
The value and why
5 mm²/s at 20 °C (could not be read; source [3])

Value	As written	Source
–	N-pentanol appears as a colorless liquid with a mild to moderately strong odor. Less dense than water. Flash point 91 °F. Boiling point 280 °F. Vapors heavier than air. Moderately toxic by ingestion. Vapors may irritate skin and eyes. Used as a solvent and to make other chemicals.	[1] CAMEO Chemicals
–	Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown	Colorless liquid	[4] 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. 71

Value	As written	Source
–	CHARACTERISTIC FUSEL-LIKE ODOR	[4] Hazardous Substances Data Bank (HSDB)cites Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 28
–shown	Mild odor	[4] 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. 71

Value	As written	Source
−79 °Cshown	-110 °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.
−79 °C	-79 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
138 °C	280 °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.
138 °Cshown	138 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–shown	0.818 at 59 °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): 0.8	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	10 to 50 mg/mL at 63 °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.
–	Sol in acetone	[4] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V4: 3893
–	MISCIBLE WITH MOST ORG SOLVENTS	[4] Hazardous Substances Data Bank (HSDB)cites Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 28
–	In water, 22,000 mg/L at 25 °C	[4] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan., Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. CRC Press LLC, Boca Raton, FL. 2003., p. 182
–shown	Solubility in water, g/100ml at 20 °C: 2.2 (moderate)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
1 mmHg	1 mmHg at 56.5 °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.
2.8 mmHg	2.8 mmHg at 68 °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.
2.2 mmHg	2.2 mm Hg at 25 °C	[4] 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. 207
4.5 mmHgshown	Vapor pressure, kPa at 20 °C: 0.6	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
33 °C	91 °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.
33 °Cshown	91 °F (33 °C) (CLOSED CUP)	[4] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-14
43 °C	43 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
360 °C	680 °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.
300 °C	572 °F (300 °C)	[4] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-14
320 °Cshown	320 °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: 6
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 1
H-bond acceptors: 1
Rotatable bonds: 3
TPSA (Å²): 20.2
Formal charge: 0
XLogP3: 1.6 PubChem
Complexity: 19 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

C68.13%
H13.72%
O18.15%

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: 1.17 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.92 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.57 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 88.15
log P ≤ 5 (Crippen): 1.17
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 [5].

Flammable
Harmful or irritant

NFPA 704[4]

H226Flammable liquid and vapor
H315Causes skin irritation
H332Harmful if inhaled
H335May cause respiratory irritation

Precautionary statements: P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

View all classifications (3)

[5] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · WarningH226, H315, H332, H335
[6] European Chemicals Agency (ECHA) · 2,793 reports · DangerH226, H314, H315, H318, H332, H335
[6] European Chemicals Agency (ECHA) · 411 reports · WarningH226, H332, H335

Exposure limits

MAK (Maximale Arbeitsplatz Konzentration): 73 mg/m[3]

First aid

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]
Fresh air, rest. Refer for medical attention.[3]
Remove contaminated clothes. Rinse skin with plenty of water or shower. Seek medical attention if you feel unwell.[3]
Rinse with plenty of water (remove contact lenses if easily possible). Refer for medical attention.[3]

Storage

Fireproof. Separated from strong oxidants.[3]
Fireproof. Separated from strong oxidants, and alkaline metals and alkaline-earth metals. Keep in a well-ventilated room.[4]

Incompatibilities

Attacks many alkaline and earth alkaline metals forming flammable/explosive gas.[4]
Incompatible with oxidizing materials, hydrogen trisulfide.[4]

Safety data sheets on the supplier’s page: CATO Research Chemicals Inc., Enamine, Thermo Fisher Scientific.

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]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[5]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
[6]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[7]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[8]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[9]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[10]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[11]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[12]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.