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Lignoceric acid

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C24H48O2 · 368.6 g/mol

IUPAC name: tetracosanoic acid

Also called tetracosanoic acid, C24:0

Lipids
Open in Athanor
The structure of Lignoceric 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
tetracosanoic acid
Synonyms
tetracosanoic acid, C24:0, Tetracosanoic acid
+ 37 more

N-TETRACOSANOIC ACID, RK3VCW5Y1L, CHEBI:28866, DTXSID6021664, fatty acid 24:0, RefChem:153409, DTXCID701664, 209-180-7, MFCD00002810, Tetracosansaeure, tetracosanic acid, UNII-RK3VCW5Y1L, tetraicosanoic acid, FA 24:0, LIGNOCERIC ACID [MI], N-Lignocericacid, AKOS015892947, AS-48043, EEF1376B-508E-4043-94E9-AC29747EA6AB, tetracosanoic acid (lignoceric acid), Lignozerinsaeure, Carnaubic acid, lingnoceric acid, tetracosoic acid, Tetracosanoicacid, tetrecosanoic acid, isoselachoceric acid, tetraeicosanoic acid, EINECS 209-180-7, Tetracosanoic-d4 acid, 15-tetracosanoic acid, tetracosane carbonic acid, C24:0; Carnaubic acid, SCHEMBL132795, orb1296941, orb3025397, SCHEMBL3406713

Molecular formula
C24H48O2
Empirical formula
C12H24O
Molecular weight
368.6 g/mol
Exact mass
368.36543
CAS number
557-59-5
PubChem CID
11197
Canonical SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Isomeric SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
InChIKey
QZZGJDVWLFXDLK-UHFFFAOYSA-N
Molfile

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

Calculated

Heavy atoms
26
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.96
H-bond donors
1
H-bond acceptors
1 computed here · PubChem 2
Rotatable bonds
22
TPSA (Ų)
37.3
Formal charge
0
XLogP3
10.7 PubChem
Complexity
275 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

  • C78.20%
  • H13.12%
  • O8.68%

Isotope pattern

100%368.36527%369.3693.8%370.372371.375

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
8.67 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-6.14 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: 368.65
  • log P ≤ 5 (Crippen): 8.67
  • 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: 40 company reports to ECHA. Source [1].

  • Harmful or irritant
  • H315Causes skin irritation (97.5% of reports)
  • H319Causes serious eye irritation (97.5% of reports)
  • H335May cause respiratory irritation (95% 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)
  • [1] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
  • [1] European Chemicals Agency (ECHA) · 40 reports · WarningH315, H319, H335

Safety data sheets on the supplier’s page: AKos Consulting & Solutions, Alfa Chemistry, 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. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  2. [2]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  6. [6]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  7. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  8. ·Literature on PubChem

Data last updated 2026-10-14.