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Lactic acid

Athanor · official

C3H6O3 · 90.08 g/mol

IUPAC name: (2S)-2-hydroxypropanoic acid

Also called lactate, 2-hydroxypropanoic acid, milk acid, E270

Metabolites
Open in Athanor
The structure of Lactic acid
Drawn from its SMILES with RDKit
CorrosiveDangerCauses severe skin burns and eye damage · Causes serious eye damage

Names and identifiers

IUPAC name
(2S)-2-hydroxypropanoic acid
Synonyms
lactate, 2-hydroxypropanoic acid, milk acid
+ 39 more

E270, L-Lactic acid, L-(+)-Lactic acid, (S)-Lactic acid, (S)-2-Hydroxypropanoic acid, (2S)-2-hydroxypropanoic acid, Sarcolactic acid, (S)-2-Hydroxypropionic acid, (+)-Lactic acid, Paralactic acid, (S)-(+)-Lactic acid, Lactic acid, L-, Tisulac, Propanoic acid, 2-hydroxy-, (2S)-, Sarcolacticum acidum, L-(+)-alpha-Hydroxypropionic acid, F9S9FFU82N, CHEBI:422, DTXSID6034689, Lactisan Winter, Key Dermolac, Pleo Sanuvis, L Lactic Acid, ClO2-C Activator, RefChem:55440, Chlorine Dioxide Teat Dip, DTXCID4014689, Jabon antiseptico a base de acido lactico, 201-196-2, L(+)-LACTIC ACID, PURAC, L-lactate, PH 90, PROPANOIC ACID, 2-HYDROXY-, (S)-, L-Lactic Acid, 90%, MFCD00064266, PLLA, Paramilchsaeure, Fleischmilchsaeure

Molecular formula
C3H6O3
Empirical formula
CH2O
Molecular weight
90.08 g/mol
Exact mass
90.03169
CAS number
79-33-4
PubChem CID
107689
Canonical SMILES
CC(C(=O)O)O
Isomeric SMILES
C[C@@H](C(=O)O)O
InChI
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
InChIKey
JVTAAEKCZFNVCJ-REOHCLBHSA-N
Molfile

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

Physical properties

Appearance
Liquid[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
6
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.67
H-bond donors
2
H-bond acceptors
2 computed here · PubChem 3
Rotatable bonds
1
TPSA (Ų)
57.5
Formal charge
0
XLogP3
-0.7 PubChem
Complexity
59 PubChem
Stereocenters
1 definedCIP: C2: S
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

  • C40.00%
  • H6.71%
  • O53.28%

Isotope pattern

100%90.0323.4%91.03592.036

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
-0.55 Crippen (Wildman and Crippen 1999)
log S (water solubility)
0.01 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.33 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 90.08
  • log P ≤ 5 (Crippen): -0.55
  • H-bond donors ≤ 5: 2
  • H-bond acceptors ≤ 10: 2

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

Danger

Harmonized EU classification (CLP Annex VI). Source [2].

  • Corrosive
  • H314Causes severe skin burns and eye damage
  • H318Causes serious eye damage

Precautionary statements: P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

View all classifications (3)
  • [2] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH314, H318
  • [3] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1219) of reports.
  • [3] European Chemicals Agency (ECHA) · 1,219 reports · DangerH314, H315, H318

Safety data sheets on the supplier’s page: eNovation Chemicals, LGC Standards, Aladdin 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]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
  3. [3]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  4. [4]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  6. [6]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  7. [7]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  8. [8]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  9. [9]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  10. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  11. ·Literature on PubChem

Data last updated 2026-10-14.