Decane

Athanor · official

C₁₀H₂₂ · 142.28 g/mol

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Drawn from its SMILES with RDKit

DangerFlammable liquid and vapor · May be fatal if swallowed and enters airways

Names and identifiers

IUPAC name: decane
Synonyms: n-Decane, Decyl hydride, DTXSID6024913
+ 35 more
NK85062OIY, NSC-8781, SYNTSOL LP 10, DTXCID704913, CHEBI:41808, CACTUS NORMAL PARAFFIN N 10, RefChem:585364, 204-686-4, 682-389-2, Nonane, methyl-, MFCD00008954, Decane, analytical standard, CAS-124-18-5, D10, HSDB 63, CCRIS 653, NSC 8781, EINECS 204-686-4, UN2247, BRN 1696981, decan, Decane; Cactus Normal Paraffin N 10; NSC 8781; n-Decane, UNII-NK85062OIY, normal-decane, AI3-24107, Decane, n-, Decane, 99%, DECANE [HSDB], Decane, >=95%, EC 204-686-4, SCHEMBL3073, SCHEMBL8371, SCHEMBL19681, SCHEMBL20870, SCHEMBL50407
Molecular formula: C₁₀H₂₂
Empirical formula: C₅H₁₁
Molecular weight: 142.28 g/mol
Exact mass: 142.17215
CAS number: 124-18-5
PubChem CID: 15600
Canonical SMILES: CCCCCCCCCC
Isomeric SMILES: CCCCCCCCCC
InChI: InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
InChIKey: DIOQZVSQGTUSAI-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-decane appears as a colorless liquid. Flash point 115 °F. Less dense than water and insoluble in water. Vapors heavier than air. In high concentrations its vapors may be narcotic. 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.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 371
Melting point: -29.7 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
−29.7 °C -21.5 °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.
−29.7 °Cshown -29.7 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−29.6 °C -29.6 °C [5] PAC Chemical Database, U.S. Department of Energy
Boiling point: 174.15 °C @760 [mmHg][5]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
174.1 °C 345.4 °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.
174.2 °C 174.2 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
174.2 °Cshown 174.15 °C @760 [mm Hg] [5] PAC Chemical Database, U.S. Department of Energy
Density: 0.7266 @25 °C[5]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
– 0.73 at 60 °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)
–shown 0.7266 @25 °C [5] PAC Chemical Database, U.S. Department of Energy
Solubility in water: Solubility in water: none[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, 5.20X10-2 mg/L at 25 °C [4] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 745
– In distilled water, 0.009 mg/L at 20 °C; in salt water, 0.087 mg/L at 20 °C [4] Hazardous Substances Data Bank (HSDB)cites Verschueren, K. Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons. New York, NY. 2001, p. 655
–shown Solubility in water: none [3] ILO-WHO International Chemical Safety Cards (ICSCs)
log P: 5.98 (estimated)[3]
2 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
– log Kow = 5.01 [4] Hazardous Substances Data Bank (HSDB)cites Coates M et al; Environ Sci Technol 19: 628-32 (1985)
–shown 5.98 (estimated) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: 1.43 mmHg at 25 °C[4]
6 values
2 of 4 sources agree on it (most common value).
Value As written Source
1 mmHg 1 mmHg at 61.7 °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.
2.7 mmHg 2.7 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 131.7 °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.
1.43 mmHgshown 1.43 mm Hg at 25 °C [4] 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.
1.3 mmHg Vapor pressure, kPa at 25 °C: 0.17 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
1.43 mmHg 1.43 [mm Hg] @25 °C [5] PAC Chemical Database, U.S. Department of Energy
Flash point: 46.0 °C (114.8 °F) - closed cup[4]
4 values
3 of 3 sources agree on it (most common value).
Value As written Source
46 °C 115 °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.
46.0 °Cshown 46.0 °C (114.8 °F) - closed cup [4] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for Decane. Product Number: 457116, Version 4.9 (Revision Date 01/20/2015). Available from, as of October 20, 2015: https://www.sigmaaldrich.com/safety-center.html
46 °C 115 °F (46 °C)(Closed cup) [4] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-36
46 °C 46 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Autoignition temperature: 210 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
210 °C 410 °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.
210 °C 410 °F (210 °C) [4] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-36
210 °Cshown 210 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	N-decane appears as a colorless liquid. Flash point 115 °F. Less dense than water and insoluble in water. Vapors heavier than air. In high concentrations its vapors may be narcotic. 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.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 371

Value	As written	Source
−29.7 °C	-21.5 °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.
−29.7 °Cshown	-29.7 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−29.6 °C	-29.6 °C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
174.1 °C	345.4 °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.
174.2 °C	174.2 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
174.2 °Cshown	174.15 °C @760 [mm Hg]	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	0.73 at 60 °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)
–shown	0.7266 @25 °C	[5] PAC Chemical Database, U.S. Department of Energy

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, 5.20X10-2 mg/L at 25 °C	[4] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 745
–	In distilled water, 0.009 mg/L at 20 °C; in salt water, 0.087 mg/L at 20 °C	[4] Hazardous Substances Data Bank (HSDB)cites Verschueren, K. Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons. New York, NY. 2001, p. 655
–shown	Solubility in water: none	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	log Kow = 5.01	[4] Hazardous Substances Data Bank (HSDB)cites Coates M et al; Environ Sci Technol 19: 628-32 (1985)
–shown	5.98 (estimated)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
1 mmHg	1 mmHg at 61.7 °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.
2.7 mmHg	2.7 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 131.7 °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.
1.43 mmHgshown	1.43 mm Hg at 25 °C	[4] 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.
1.3 mmHg	Vapor pressure, kPa at 25 °C: 0.17	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
1.43 mmHg	1.43 [mm Hg] @25 °C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
46 °C	115 °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.
46.0 °Cshown	46.0 °C (114.8 °F) - closed cup	[4] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for Decane. Product Number: 457116, Version 4.9 (Revision Date 01/20/2015). Available from, as of October 20, 2015: https://www.sigmaaldrich.com/safety-center.html
46 °C	115 °F (46 °C)(Closed cup)	[4] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-36
46 °C	46 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
210 °C	410 °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.
210 °C	410 °F (210 °C)	[4] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-36
210 °Cshown	210 °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: 10
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 0
H-bond acceptors: 0
Rotatable bonds: 7
TPSA (Å²): 0
Formal charge: 0
XLogP3: 5 PubChem
Complexity: 40 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

C84.41%
H15.59%

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: 4.15 Crippen (Wildman and Crippen 1999)
log S (water solubility): -2.87 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.23 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 142.29
log P ≤ 5 (Crippen): 4.15
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: 1,869 company reports to ECHA. Source [6].

Flammable
Health hazard

NFPA 704[4]

H226Flammable liquid and vapor (91.6% of reports)
H304May be fatal if swallowed and enters airways (92.5% of reports)

Precautionary statements: P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

View all classifications (4)

[6] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.1% (2 of 1869) of reports.
[6] European Chemicals Agency (ECHA) · 1,869 reports · DangerH226, H304
[6] European Chemicals Agency (ECHA) · DangerH226, H304
[4] Hazardous Substances Data Bank (HSDB) · DangerH226, H304

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: · 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…[7]
Fresh air, rest. Half-upright position.[3]
Remove contaminated clothes. Rinse skin with plenty of water or shower.[3]

Storage

Fireproof. Cool.[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. Store under inert gas.[4]

Incompatibilities

Incompatible materials: Strong oxidizing agents.[4]
Can react with oxidizing materials.[4]

Safety data sheets on the supplier’s page: 10X CHEM, LGC Standards, 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]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[6]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[7]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[8]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[9]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[10]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[11]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[12]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[13]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.