Nonane

Athanor · official

C₉H₂₀ · 128.25 g/mol

Reagents

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Drawn from its SMILES with RDKit

DangerFlammable liquid and vapor · May be fatal if swallowed and enters airways · Causes skin irritation · Causes serious eye irritation · Harmful if inhaled · May cause drowsiness or dizziness · Very toxic to aquatic life · Very toxic to aquatic life with long lasting effects · Toxic to aquatic life with long lasting effects

Names and identifiers

IUPAC name: nonane
Synonyms: n-Nonane, Nonyl hydride, Shellsol 140
+ 34 more
DTXSID9025796, T9W3VH6G10, NSC-72430, DTXCID005796, CHEBI:32892, RefChem:6073, 203-913-4, Lodyne S, Lodyne S 100, nonan, Heptane, ethyl-, Nonane, analytical standard, Iotrochotin, CAS-111-84-2, CCRIS 6081, HSDB 107, EINECS 203-913-4, NSC 72430, UNII-T9W3VH6G10, n-C9H20, DD9, MFCD02099450, Nonane, 99%, NONANE [HSDB], EC 203-913-4, SCHEMBL8420, NONANE MFC9 H20, NONANE-5-C12, SCHEMBL23798, SCHEMBL27961, SCHEMBL51003, SCHEMBL55298, SCHEMBL57458, SCHEMBL83854
Molecular formula: C₉H₂₀
Empirical formula: C₉H₂₀
Molecular weight: 128.25 g/mol
Exact mass: 128.15650
CAS number: 111-84-2
PubChem CID: 8141
Canonical SMILES: CCCCCCCCC
Isomeric SMILES: CCCCCCCCC
InChI: InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
InChIKey: BKIMMITUMNQMOS-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
– N-nonane appears as a clear colorless liquid with a sharp odor. Flash point 86 °F. Insoluble in water and less dense than water. Contact may irritate eyes and possibly injury the cornea. May irritate skin. Vapor inhalation may cause irritation. Prolonged inhalation may lead to breathing difficulty. Ingestion causes abdominal discomfort, nausea and diarrhea. [1] CAMEO Chemicals
– Other Solid; Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless liquid with a gasoline-like odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless liquid with a gasoline-like 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) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. V3: 2738
Odor: Gasoline-like odor[6]
Melting point: -51 °C[3]
5 values
4 of 5 sources agree on it (most common value).
Value As written Source
−51 °C -60 °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.
−51 °Cshown -51 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−51 °C -60 °F [4] Occupational Safety and Health Administration (OSHA)
−53.5 °C -53.46 °C [7] PAC Chemical Database, U.S. Department of Energy
−51 °C -60 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 150.82 °C @760 [mmHg][7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
150.8 °C 303.4 °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.
150.8 °C 150.8 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
151 °C 303 °F [4] Occupational Safety and Health Administration (OSHA)
150.8 °Cshown 150.82 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
151 °C 303 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 0.7192 @ 20°C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
– 0.718 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): 0.7 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.718 [4] Occupational Safety and Health Administration (OSHA)
–shown 0.7192 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
– 0.72 [5] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water: Solubility in water, g/100ml at 25 °C: 0.00002 (very poor)[3]
4 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– less than 1 mg/mL at 70 °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, 0.220 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. 123
–shown Solubility in water, g/100ml at 25 °C: 0.00002 (very poor) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Insoluble [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 5.65[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 5.65 [6] Hazardous Substances Data Bank (HSDB)cites Sangster J; LOGKOW Database. A databank of evaluated octanol-water partition coefficients (Log P). Available from, as of Oct 29, 2013: https://logkow.cisti.nrc.ca/logkow/search.html
–shown 5.65 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: 4.45 mmHg at 25 °C (extrapolated)[6]
5 values
2 of 4 sources agree on it (most common value).
Value As written Source
3.22 mmHg 3.22 mmHg at 68 °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.
10 mmHg 10 mmHg at 100.4 °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.
4.45 mmHgshown 4.45 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.
4.4 mmHg Vapor pressure, kPa at 25 °C: 0.59 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
7.5 mmHg 7.5 [mm Hg] @34 °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: 31 °C c.c.[3]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
31 °C 88 °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.
31 °C 88 °F (31 °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. 325-92
31 °Cshown 31 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
31 °C 88 °F [4] Occupational Safety and Health Administration (OSHA)
31 °C 88 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 205 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
205 °C 401 °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.
205 °C 401 °F (205 °C) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-92
205 °Cshown 205 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: 0.6696 cP at 25 °C[6]

Value	As written	Source
–	N-nonane appears as a clear colorless liquid with a sharp odor. Flash point 86 °F. Insoluble in water and less dense than water. Contact may irritate eyes and possibly injury the cornea. May irritate skin. Vapor inhalation may cause irritation. Prolonged inhalation may lead to breathing difficulty. Ingestion causes abdominal discomfort, nausea and diarrhea.	[1] CAMEO Chemicals
–	Other Solid; Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless liquid with a gasoline-like odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless liquid with a gasoline-like 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) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. V3: 2738

Value	As written	Source
−51 °C	-60 °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.
−51 °Cshown	-51 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−51 °C	-60 °F	[4] Occupational Safety and Health Administration (OSHA)
−53.5 °C	-53.46 °C	[7] PAC Chemical Database, U.S. Department of Energy
−51 °C	-60 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
150.8 °C	303.4 °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.
150.8 °C	150.8 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
151 °C	303 °F	[4] Occupational Safety and Health Administration (OSHA)
150.8 °Cshown	150.82 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
151 °C	303 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	0.718 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): 0.7	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.718	[4] Occupational Safety and Health Administration (OSHA)
–shown	0.7192 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–	0.72	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	less than 1 mg/mL at 70 °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, 0.220 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. 123
–shown	Solubility in water, g/100ml at 25 °C: 0.00002 (very poor)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Insoluble	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 5.65	[6] Hazardous Substances Data Bank (HSDB)cites Sangster J; LOGKOW Database. A databank of evaluated octanol-water partition coefficients (Log P). Available from, as of Oct 29, 2013: https://logkow.cisti.nrc.ca/logkow/search.html
–shown	5.65	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
3.22 mmHg	3.22 mmHg at 68 °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.
10 mmHg	10 mmHg at 100.4 °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.
4.45 mmHgshown	4.45 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.
4.4 mmHg	Vapor pressure, kPa at 25 °C: 0.59	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
7.5 mmHg	7.5 [mm Hg] @34 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
31 °C	88 °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.
31 °C	88 °F (31 °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. 325-92
31 °Cshown	31 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
31 °C	88 °F	[4] Occupational Safety and Health Administration (OSHA)
31 °C	88 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
205 °C	401 °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.
205 °C	401 °F (205 °C)	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-92
205 °Cshown	205 °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: 9
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 0
H-bond acceptors: 0
Rotatable bonds: 6
TPSA (Å²): 0
Formal charge: 0
XLogP3: 4.5 PubChem
Complexity: 33 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

C84.28%
H15.72%

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: 3.76 Crippen (Wildman and Crippen 1999)
log S (water solubility): -2.61 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.26 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 128.26
log P ≤ 5 (Crippen): 3.76
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

Most widely reported: 1,344 company reports to ECHA. Source [8].

Flammable
Harmful or irritant
Health hazard
Environmental hazard

NFPA 704[6]

H226Flammable liquid and vapor (65.8% of reports)
H304May be fatal if swallowed and enters airways (65.3% of reports)
H315Causes skin irritation (55% of reports)
H319Causes serious eye irritation (53.4% of reports)
H332Harmful if inhaled (29.7% of reports)
H336May cause drowsiness or dizziness (55.3% of reports)
H400Very toxic to aquatic life (22.2% of reports)
H410Very toxic to aquatic life with long lasting effects (31% of reports)
H411Toxic to aquatic life with long lasting effects (13.4% of reports)

Precautionary statements: P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

View all classifications (2)

[8] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.2% (3 of 1344) of reports.
[8] European Chemicals Agency (ECHA) · 1,344 reports · DangerH226, H304, H315, H319, H332, H336, H400, H410, H411

Exposure limits

PEL: None See Appendix G[5]
REL-TWA (Time Weighted Average): 200 ppm (1050 mg/m³)[4]
REL: TWA 200 ppm (1050 mg/m3)[5]
TLV: 200 ppm as TWA[3]
TLV-TWA (Time Weighted Average): 200 ppm [2011][4]
IDLH: N.D. See: IDLH index[5]

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]
(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: Soap wash immediately - If this chemical contacts the skin, immediately wash the contaminated skin with soap and water.[5]
Fresh air, rest. Refer for medical attention.[3]
Rinse and then wash skin with water and soap. Refer for medical attention if skin irritation occurs.[3]

Storage

Fireproof. Separated from strong oxidants. Store in an area without drain or sewer access.[3]
Store in cool place. 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. Moisture sensitive.[6]
Fireproof. Separated from strong oxidants. Store in an area without drain or sewer access.[6]

Incompatibilities

Can react with oxidizing materials.[6]
Strong oxidizers (e.g., peroxides, nitrates, perchlorates).[6]
Strong oxidizers (e.g., peroxides, nitrates, perchlorates)[5]

Safety data sheets on the supplier’s page: Debye Scientific Co., Ltd, Key Organics/BIONET, MolCore.

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]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[9]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[10]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[11]Human Metabolome Database (HMDB) · 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.