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Palmitic acid

Athanor · official

C16H32O2 · 256.42 g/mol

IUPAC name: hexadecanoic acid

Also called hexadecanoic acid, C16:0, palm oil, palmitate

Lipids
Open in Athanor
The structure of Palmitic acid
Drawn from its SMILES with RDKit
Harmful or irritantWarningCauses skin irritation · Causes serious eye irritation · May cause respiratory irritation

Names and identifiers

IUPAC name
hexadecanoic acid
Synonyms
hexadecanoic acid, C16:0, palm oil
+ 38 more

palmitate, Hexadecanoic acid, Cetylic acid, n-Hexadecanoic acid, Hexadecylic acid, 1-Pentadecanecarboxylic acid, n-Hexadecoic acid, Hydrofol, Palmitinic acid, Pentadecanecarboxylic acid, hexaectylic acid, Industrene 4516, Emersol 140, Emersol 143, Hystrene 8016, Hystrene 9016, 1-Hexyldecanoic Acid, hexadecoic acid, Palmitic acid, pure, Palmitic acid 95%, Kortacid 1698, FEMA No. 2832, Loxiol EP 278, Hydrofol Acid 1690, Palmitinsaeure, Cetyl acid, Pristerene-4934, Prifac-2960, DTXSID2021602, NSC5030, NSC-5030, CHEBI:15756, IMEX C 1498, 2V16EO95H1, EDENOR C 16-98-100, Hexadecanoate (n-C16:0), DTXCID101602, SURFAXIN COMPONENT PALMITIC ACID

Molecular formula
C16H32O2
Empirical formula
C8H16O
Molecular weight
256.42 g/mol
Exact mass
256.24023
CAS number
57-10-3
PubChem CID
985
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)O
Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKey
IPCSVZSSVZVIGE-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity
Appearance
White crystalline scales[3]
4 values

From Hazardous Substances Data Bank (HSDB), the most authoritative source here.

ValueAs writtenSource
–Large Crystals; CBI; Dry Powder; Other Solid; Liquid; Liquid; Other Solid[1] EPA Chemical Data Reporting (CDR)
–COLOURLESS OR WHITE CRYSTALS.[2] ILO-WHO International Chemical Safety Cards (ICSCs)
–shownWhite crystalline scales[3] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1027
–Hard, white, or faintly yellowish, somewhat glossy crystalline solid, or as a white yellowish powder[3] Hazardous Substances Data Bank (HSDB)cites Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 6th ed.Boca Raton, FL 2010, p. 1584
Odor
Virtually odorless; slight characteristic odor[3]
Melting point
63 °C[2]
Boiling point
351-352 °C[2]
Density
0.849 @25 °C[4]
2 values

2 of 2 sources agree on it (most common value).

ValueAs writtenSource
–Relative density (water = 1): 0.85[2] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown0.849 @25 °C[4] PAC Chemical Database, U.S. Department of Energy
Solubility in water
Solubility in water: none[2]
5 values

From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.

ValueAs writtenSource
–In water, 0.04 mg/L at 25 °C[3] Hazardous Substances Data Bank (HSDB)cites Robb ID; Aust J Chem 19: 2281-4 (1966)
–Insoluble in water[3] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1027
–Soluble in hot alcohol and ether[3] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1027
–Soluble in aromatic, chlorinated and oxygenated solvents[3] Hazardous Substances Data Bank (HSDB)cites Ashford, R.D. Ashford's Dictionary of Industrial Chemicals. London, England: Wavelength Publications Ltd., 1994., p. 661
–shownSolubility in water: none[2] ILO-WHO International Chemical Safety Cards (ICSCs)
log P
5.31[2]
2 values

Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.

ValueAs writtenSource
–log Kow = 7.17[3] Hazardous Substances Data Bank (HSDB)cites Sangster J; LOGKOW Databank. Sangster Res. Lab., Montreal Quebec, Canada (1994)
–shown5.31[2] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure
Vapor pressure, Pa at 154 °C: 133[2]
2 values

Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.

ValueAs writtenSource
3.8e-7 mmHg3.8X10-7 mm Hg at 25 °C[3] 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.
0.998 mmHgshownVapor pressure, Pa at 154 °C: 133[2] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity
Reported, but no value passed the checks.
The value and why
  • 7.80 mPa.sec (cP) at 70 °C (could not be read; source [3])
Refractive index
Index of refraction: 1.4309 at 70 °C[3]

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
18
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.94
H-bond donors
1
H-bond acceptors
1 computed here · PubChem 2
Rotatable bonds
14
TPSA (Ų)
37.3
Formal charge
0
XLogP3
6.4 PubChem
Complexity
178 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

  • C74.94%
  • H12.58%
  • O12.48%

Isotope pattern

100%256.24018%257.2441.9%258.247259.249

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
5.55 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-4 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
1.69 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 256.43
  • log P ≤ 5 (Crippen): 5.55
  • H-bond donors ≤ 5: 1
  • H-bond acceptors ≤ 10: 1

Breaks 1 of the 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

Most widely reported: 1,873 company reports to ECHA. Source [5].

  • Harmful or irritant
  • H315Causes skin irritation (28.2% of reports)
  • H319Causes serious eye irritation (29.3% of reports)
  • H335May cause respiratory irritation (27.7% of reports)

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

View all classifications (2)
  • [5] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 66.5% (1245 of 1873) of all reports.
  • [5] European Chemicals Agency (ECHA) · 1,873 reports · WarningH315, H319, H335

First aid

  • Fresh air, rest.[2]
  • First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.[2]

Storage

  • Separated from bases, oxidants and reducing agents. Well closed.[2]
  • Keep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): Non Combustible Solids[3]

Safety data sheets on the supplier’s page: J&H Chemical Co.,ltd, Alfa Chemistry, Matrix 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. [1]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
  2. [2]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  3. [3]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  4. [4]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
  5. [5]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  6. [6]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  7. [7]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  8. [8]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  9. [9]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  10. [10]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  11. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  12. ·Literature on PubChem

Data last updated 2026-10-14.