Capric acid (C10H20O2): structure, properties and hazards

Names and identifiers

IUPAC name: decanoic acid
Synonyms: decanoic acid, C10:0, caprate
+ 37 more
Decanoic acid, n-Capric acid, n-Decanoic acid, Decoic acid, Decylic acid, n-Decylic acid, 1-Nonanecarboxylic acid, Caprinic acid, Caprynic acid, n-Decoic acid, Hexacid 1095, Econosan Acid Sanitizer, FEMA No. 2364, Emery 659, DTXSID9021554, 4G9EDB6V73, Prifac 296, Prifac 2906, NSC-5025, Lunac 10-95, Lunac 10-98, PRIFAC-2906, DTXCID201554, PALMAC-99-10, CHEBI:30813, NSC5025, Decanoic acid anion, decanoate;hydron, fatty acid 10:0, RefChem:31675, 1-NONANE CARBOXYLIC ACID, NAA 102, 206-376-4, Caprylic, Decanoic acid (natural), NSC 5025, MFCD00004441
Molecular formula: C₁₀H₂₀O₂
Empirical formula: C₅H₁₀O
Molecular weight: 172.26 g/mol
Exact mass: 172.14633
CAS number: 334-48-5
PubChem CID: 2969
Canonical SMILES: CCCCCCCCCC(=O)O
Isomeric SMILES: CCCCCCCCCC(=O)O
InChI: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKey: GHVNFZFCNZKVNT-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: White crystals[3]
5 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Decanoic acid is a white crystalline solid with a rancid odor. Melting point 31.5 °C. Soluble in most organic solvents and in dilute nitric acid; non-toxic. Used to make esters for perfumes and fruit flavors and as an intermediate for food-grade additives. [1] CAMEO Chemicals
– Liquid; Liquid; Other Solid; Other Solid [2] EPA Chemical Data Reporting (CDR)
–shown White crystals [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 203
– White crystals or needles [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. V2: 1079
– Pale yellow solid [3] Hazardous Substances Data Bank (HSDB)cites Ashford, R.D. Ashford's Dictionary of Industrial Chemicals. London, England: Wavelength Publications Ltd., 1994., p. 172
Odor: Unpleasant odor[3]
Melting point: 31.5 °C[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
31.5 °C 88.7 °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.
31.5 °Cshown 31.5 °C [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 203
Boiling point: 268 to 270 °C (514 to 518 °F) at 760 mmHg (NTP, 1992)[1]
Density: 0.890 at 40 °C/4 °C[3]
2 values
Only one source reports it.
Value As written Source
– 0.893 (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.
0.89 g/mLshown 0.890 at 40 °C/4 °C [3] 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. V3: 2427
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Solubility in water: In water solubility, 61.8 mg/L at 25 °C[3]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– less than 1 mg/mL at 64 °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.
– Soluble in most organic solvents and dilute nitric acid [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 203
–shown In water solubility, 61.8 mg/L at 25 °C [3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth ed, Tucson, AZ: Univ Az, College of Pharmacy (1992)
log P: log Kow = 4.09[3]
pKa: pKa = 4.90[3]
Vapor pressure: 3.66 × 10⁻⁴ mmHg at 25 °C[3]
4 values
Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.
Value As written Source
1 mmHg 1 mmHg at 257 °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.
5 mmHg 5 mmHg at 287.6 °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.
760 mmHg 760 mmHg at 515.1 °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.
0.000366 mmHgshown 3.66X10-4 mm Hg at 25 °C [3] Hazardous Substances Data Bank (HSDB)cites Baccanari DP et al; Trans Faraday Soc 64: 1201-5 (1968)
Flash point: 113 °C (235 °F, NTP 1992)[1]
Viscosity: Reported, but no value passed the checks.
The value and why
4.30 mPa.sec (= cP) at 50 °C (could not be read; source [3])

Value	As written	Source
–	Decanoic acid is a white crystalline solid with a rancid odor. Melting point 31.5 °C. Soluble in most organic solvents and in dilute nitric acid; non-toxic. Used to make esters for perfumes and fruit flavors and as an intermediate for food-grade additives.	[1] CAMEO Chemicals
–	Liquid; Liquid; Other Solid; Other Solid	[2] EPA Chemical Data Reporting (CDR)
–shown	White crystals	[3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 203
–	White crystals or needles	[3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. V2: 1079
–	Pale yellow solid	[3] Hazardous Substances Data Bank (HSDB)cites Ashford, R.D. Ashford's Dictionary of Industrial Chemicals. London, England: Wavelength Publications Ltd., 1994., p. 172

Value	As written	Source
31.5 °C	88.7 °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.
31.5 °Cshown	31.5 °C	[3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 203

Value	As written	Source
–	0.893 (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.
0.89 g/mLshown	0.890 at 40 °C/4 °C	[3] 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. V3: 2427

Value	As written	Source
–	less than 1 mg/mL at 64 °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.
–	Soluble in most organic solvents and dilute nitric acid	[3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 203
–shown	In water solubility, 61.8 mg/L at 25 °C	[3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth ed, Tucson, AZ: Univ Az, College of Pharmacy (1992)

Value	As written	Source
1 mmHg	1 mmHg at 257 °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.
5 mmHg	5 mmHg at 287.6 °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.
760 mmHg	760 mmHg at 515.1 °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.
0.000366 mmHgshown	3.66X10-4 mm Hg at 25 °C	[3] Hazardous Substances Data Bank (HSDB)cites Baccanari DP et al; Trans Faraday Soc 64: 1201-5 (1968)

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: 12
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0.9
H-bond donors: 1
H-bond acceptors: 1 computed here · PubChem 2
Rotatable bonds: 8
TPSA (Å²): 37.3
Formal charge: 0
XLogP3: 4.1 PubChem
Complexity: 110 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

C69.72%
H11.70%
O18.57%

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: 3.21 Crippen (Wildman and Crippen 1999)
log S (water solubility): -2.4 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.53 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 172.27
log P ≤ 5 (Crippen): 3.21
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 [4].

Harmful or irritant

H315Causes skin irritation
H319Causes serious eye irritation
H412Harmful to aquatic life with long lasting effects

Precautionary statements: P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P501

View all classifications (3)

[4] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · WarningH315, H319, H412
[5] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.9% (27 of 2894) of reports.
[5] European Chemicals Agency (ECHA) · 2,894 reports · WarningH315, H319, H412

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]

Storage

Safe Storage of Pesticides. Always store pesticides in their original containers, complete with labels that list ingredients, directions for use, and first aid steps in case of accidental poisoning. Never store pesticides in cabinets with or near food, animal feed, or medical supplies. Do not store pesticides in places where flooding is possible or in places where they might spill or leak into wells, drains, ground water, or surface water. (residential uses)[3]

Safety data sheets on the supplier’s page: Key Organics/BIONET, Biorbyt, Achemtek.

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]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[4]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
[5]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[6]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[7]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[8]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[9]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[10]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[11]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.

Similar structures

Tanimoto similarity on Morgan fingerprints (radius 2) with RDKit 2026.09, at least 45%.