Erythritol (C4H10O4): structure, properties and hazards

Names and identifiers

IUPAC name: (2S,3R)-butane-1,2,3,4-tetrol
Synonyms: E968, meso-erythritol, sugar alcohol
+ 39 more
erythrulose spelling variant, meso-Erythritol, Phycitol, Erythrit, Mesoerythritol, Phycite, L-Erythritol, (2R,3S)-butane-1,2,3,4-tetrol, Antierythrite, Erythroglucin, 1,2,3,4-Butanetetrol, (2R,3S)-rel-, Paycite, erythro-tetritol, Tetrahydroxybutane, C*Eridex, (2S,3R)-butane-1,2,3,4-tetrol, DTXSID6043919, 1,2,3,4-Butanetetrol, (R*,S*)-, NIK 242, CHEBI:17113, RA96B954X6, NSC-8099, INS NO.968, FEMA NO. 4819, INS-968, F 8015, E-968, RefChem:5802, GlyTouCan:G18035IT, DTXCID301784628, G18035IT, 205-737-3, Erythrite, (2R,3S)-rel-Butane-1,2,3,4-tetraol, Butanetetrol, Erythrol (VAN), i-Erythritol, Erythritol [NF], 1,2,3,4-Butanetetrol
Molecular formula: C₄H₁₀O₄
Empirical formula: C₂H₅O₂
Molecular weight: 122.12 g/mol
Exact mass: 122.05791
CAS number: 149-32-6
PubChem CID: 222285
Canonical SMILES: C(C(C(CO)O)O)O
Isomeric SMILES: C([C@H]([C@H](CO)O)O)O
InChI: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
InChIKey: UNXHWFMMPAWVPI-ZXZARUISSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: White crystals[1]
Melting point: Reported, but no value passed the checks.
The value and why
Crystals. MP: 61 °C. Soluble in alcohol, ether, and glycerol (could not be read; source [1])
Solubility in water: In water, 6.10 × 10⁵ mg/L at 22 °C[1]
log P: log Kow = -2.29[1]
Viscosity: Reported, but no value passed the checks.
The 4 values and why
1.3381 at 20 °C (could not be read; source [1])
1.1372 at 30 °C (could not be read; source [1])
0.8965 at 40 °C (could not be read; source [1])
0.7251 at 50 °C (all in mPa.s) (could not be read; source [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: 8
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 4
H-bond acceptors: 4
Rotatable bonds: 3
TPSA (Å²): 80.9
Formal charge: 0
XLogP3: -2.3 PubChem
Complexity: 48 PubChem
Stereocenters: 2 definedCIP: C3: S · C5: R
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

C39.34%
H8.25%
O52.40%

Isotope pattern

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: -2.31 Crippen (Wildman and Crippen 1999)
log S (water solubility): 1.05 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 3.25 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 122.12
log P ≤ 5 (Crippen): -2.31
H-bond donors ≤ 5: 4
H-bond acceptors ≤ 10: 4

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

Warning

Most widely reported: 39 company reports to ECHA. Source [2].

Harmful or irritant

H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

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) · 109 reportsThis chemical does not meet GHS hazard criteria for 98.2% (107 of 109) of all reports.
[2] European Chemicals Agency (ECHA) · 39 reports · WarningH315, H319, H335

Storage

Store in tight container as defined in the usp-nf. This material should be handled and stored per label instructions to ensure product integrity. Store in a refrigerator.[1]
When stored for up to 4 years in ambient conditions (20 °C, 50% RH) erythritol has been shown to be stable.[1]

Incompatibilities

Erythritol is incompatible with strong oxidizing agents and strong bases.[1]

Safety data sheets on the supplier’s page: Aladdin Scientific, Xianglong Pharmaceutical Standards (XL Standards), Alfa Chemistry.

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

Data last updated 2026-10-14.

Similar structures

Tanimoto similarity on Morgan fingerprints (radius 2) with RDKit 2026.09, at least 45%.