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Arachidic acid

Athanor · official

C20H40O2 · 312.5 g/mol

IUPAC name: icosanoic acid

Also called eicosanoic acid, C20:0, arachidate

Lipids
Open in Athanor
The structure of Arachidic 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
icosanoic acid
Synonyms
eicosanoic acid, C20:0, arachidate
+ 37 more

Icosanoic acid, EICOSANOIC ACID, Arachic acid, n-Eicosanoic acid, PQB8MJD4RB, NSC-93983, fatty acid 20:0, DTXSID1060134, CHEBI:28822, DTXCID3040859, RefChem:5559, 208-031-3, Arachidinic acid, MFCD00002755, Elcosanoic Acid, NSC 93983, ARACHIDIC ACID [MI], Arachidic, NSC93983, n-eicosanoate, BDBM50463966, [1-Hydroxy-3-(methylisopentylamino)propylidene] Bisphosphonic Acid Monosodium Salt(Ibandronic Acid Impurity), FA 20:0, UNII-PQB8MJD4RB, EINECS 208-031-3, Arachinsaeure, Icosanoicacid, Arachate, eikosanoic acid, arakis acid, EicosansI<<ure, eicosatrienoic-acid, Arachidic acid, ?99%, Arachidic acid (Standard), Arachidic acid (synthetic), Arachidic acid, >=99%, EC 208-031-3

Molecular formula
C20H40O2
Empirical formula
C10H20O
Molecular weight
312.5 g/mol
Exact mass
312.30283
CAS number
506-30-9
PubChem CID
10467
Canonical SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O
Isomeric SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
InChIKey
VKOBVWXKNCXXDE-UHFFFAOYSA-N
Molfile

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

Physical properties

Appearance
Liquid; Other Solid[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
22
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.95
H-bond donors
1
H-bond acceptors
1 computed here · PubChem 2
Rotatable bonds
18
TPSA (Ų)
37.3
Formal charge
0
XLogP3
8.5 PubChem
Complexity
226 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

  • C76.86%
  • H12.90%
  • O10.24%

Isotope pattern

100%312.30322%313.3062.8%314.309315.312

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
7.11 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-5.07 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
1.67 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 312.54
  • log P ≤ 5 (Crippen): 7.11
  • 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: 285 company reports to ECHA. Source [2].

  • Harmful or irritant
  • H315Causes skin irritation (89.8% of reports)
  • H319Causes serious eye irritation (89.8% of reports)
  • H335May cause respiratory irritation (53% 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)
  • [2] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 10.2% (29 of 285) of reports.
  • [2] European Chemicals Agency (ECHA) · 285 reports · WarningH315, H319, H335

Safety data sheets on the supplier’s page: Alfa Chemistry, Cooke Chemical Co., Ltd, BenchChem.

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]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  3. [3]NMRShiftDB · Linked only · 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.