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alpha-Linolenic acid

Athanor · official

C18H30O2 · 278.4 g/mol

IUPAC name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid

Also called ALA, C18:3, omega-3, flaxseed oil

Lipids
Open in Athanor
The structure of alpha-Linolenic acid
Drawn from its SMILES with RDKit
Harmful or irritantWarningMay cause an allergic skin reaction

Names and identifiers

IUPAC name
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
Synonyms
ALA, C18:3, omega-3
+ 38 more

flaxseed oil, linolenic acid, (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid, (Z,Z,Z)-9,12,15-Octadecatrienoic acid, cis,cis,cis-9,12,15-Octadecatrienoic acid, all-cis-9,12,15-Octadecatrienoic acid, alpha Linolenic Acid, 9-cis,12-cis,15-cis-Octadecatrienoic acid, 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-, (9,12,15)-linolenic acid, DTXSID7025506, (9Z,12Z,15Z)-Octadecatrienoic acid, 9Z,12Z,15Z-Octadecatrienoic acid, Linolenic acid, crude, (Z,Z,Z)-Octadeca-9,12,15-trienoic acid, Kortacid 1499, cis-delta9,12,15-Octadecatrienoic acid, Prifrac 2942, cis-Delta(9,12,15)-octadecatrienoic acid, 0RBV727H71, NSC-2042, cis-9,12,15-octadecatrienoic acid, 9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-, DTXCID905506, cis-9,cis-12,cis-15-Octadecatrienoic acid, CHEBI:25048, CHEBI:27432, NSC2042, 18:3(N-3), FEMA NO. 3380, LINOLENIC ACID-, alphaLnn, alpha Linolenic Acid, Zinc Salt, alpha Linolenic Acid, Sodium Salt, alpha Linolenic Acid, Calcium Salt, alpha Linolenic Acid, Lithium Salt, alpha Linolenic Acid, Ammonium Salt, alpha Linolenic Acid, Magnesium Salt, alpha Linolenic Acid, Potassium Salt

Molecular formula
C18H30O2
Empirical formula
C9H15O
Molecular weight
278.4 g/mol
Exact mass
278.22458
CAS number
463-40-1
PubChem CID
5280934
Canonical SMILES
CCC=CCC=CCC=CCCCCCCCC(=O)O
Isomeric SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
InChIKey
DTOSIQBPPRVQHS-PDBXOOCHSA-N
Molfile

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

Physical properties

TemperaturePressureDensity
Appearance
Linolenic acid is a clear colorless liquid. (NTP, 1992)[1]
2 values

From CAMEO Chemicals, the most authoritative source here.

ValueAs writtenSource
–shownLinolenic acid is a clear colorless liquid. (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.
–Liquid; Other Solid[2] EPA Chemical Data Reporting (CDR)
Melting point
-11.3 °C (11.7 °F, NTP 1992)[1]
Boiling point
230 °C (446 °F) at 17 mmHg (NTP, 1992)[1]
Density
0.9164 at 20 °C (68 °F) (NTP, 1992) - Less dense than water[1]
Solubility in water
less than 1 mg/mL at 22 °C (72 °F, NTP 1992)[1]
Vapor pressure
0.05 mmHg at 125 °C (257 °F, NTP 1992)[1]
Flash point
greater than 113 °C (235 °F, NTP 1992)[1]

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
20
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.61
H-bond donors
1
H-bond acceptors
1 computed here · PubChem 2
Rotatable bonds
13
TPSA (Ų)
37.3
Formal charge
0
XLogP3
5.9 PubChem
Complexity
301 PubChem
Stereocenters
None
Double-bond geometry
C3=C4: Z · C6=C7: Z · C9=C10: Z
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C77.65%
  • H10.86%
  • O11.49%

Isotope pattern

100%278.22520%279.2282.3%280.231281.234

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
5.66 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-4.27 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.59 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 278.44
  • log P ≤ 5 (Crippen): 5.66
  • 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: 2,305 company reports to ECHA. Source [3].

  • Harmful or irritant
  • H317May cause an allergic skin reaction (10.4% of reports)

Precautionary statements: P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

View all classifications (2)
  • [3] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 87.2% (2010 of 2305) of all reports.
  • [3] European Chemicals Agency (ECHA) · 2,305 reports · WarningH317

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]

Safety data sheets on the supplier’s page: Biosynth, ChemoSapiens, LGC Standards.

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]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
  2. [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
  3. [3]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  4. [4]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  6. [6]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  7. [7]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  8. [8]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  9. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  10. ·Literature on PubChem

Data last updated 2026-10-14.