Glyoxal

Athanor · official

C₂H₂O₂ · 58.04 g/mol

IUPAC name: oxaldehyde

Also called ethanedial, oxalaldehyde

Reagents

Open in Athanor

Drawn from its SMILES with RDKit

WarningCauses skin irritation · May cause an allergic skin reaction · Causes serious eye irritation · Harmful if inhaled · Suspected of causing genetic defects

Names and identifiers

IUPAC name: oxaldehyde
Synonyms: ethanedial, oxalaldehyde, Ethanedial
+ 37 more
oxaldehyde, Oxalaldehyde, 1,2-Ethanedione, Biformyl, Diformyl, Biformal, Oxal, Glyoxylaldehyde, Diformal, Ethanedione, Aerotex glyoxal 40, Glyoxal aldehyde, DTXSID5025364, Glyoxal, 40%, Ethandial, Glyoxal, 29.2%, 50NP6JJ975, DTXCID505364, CHEBI:34779, RefChem:5868, 203-474-9, 636-347-5, MFCD00006957, Glyoxal, 40% w/w aq. soln., NCGC00091228-01, Glyoxal (40% w/w in H2O) (Technical Grade), ODIX, C2H2O2, Glyoxal (5% in 250mL in H2O), CAS-107-22-2, CCRIS 952, Ethane-1,2-dione, HSDB 497, EINECS 203-474-9, BRN 1732463, ethane dial, UNII-50NP6JJ975
Molecular formula: C₂H₂O₂
Empirical formula: CHO
Molecular weight: 58.04 g/mol
Exact mass: 58.00548
CAS number: 107-22-2
PubChem CID: 7860
Canonical SMILES: C(=O)C=O
Isomeric SMILES: C(=O)C=O
InChI: InChI=1S/C2H2O2/c3-1-2-4/h1-2H
InChIKey: LEQAOMBKQFMDFZ-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Yellow crystals or light yellow liquid[5]
5 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Glyoxal appears as yellow crystals melting at15 °C. Hence often encountered as a light yellow liquid with a weak sour odor. Vapor has a green color and burns with a violet flame. [1] CAMEO Chemicals
– CBI; Dry Powder; Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS-TO-PALE-YELLOW LIQUID. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Yellow prisms which turn white on cooling; soluble in anhydrous solvents. Often encountered as a light yellow liquid with a weak sour odor. Vapor has a green color and burns with a violet flame. [4] Occupational Safety and Health Administration (OSHA)
–shown Yellow crystals or light yellow liquid [5] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 543
Odor: Mild odor[5]
Melting point: 15 °C[6]
4 values
3 of 4 sources agree on it (most common value).
Value As written Source
15 °C 59 °F (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.
−14 °C -14 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
15 °C 59 °F [4] Occupational Safety and Health Administration (OSHA)
15 °Cshown 15 °C [6] PAC Chemical Database, U.S. Department of Energy
Boiling point: 104 °C[3]
3 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
51 °C 124 °F at 776 mmHg (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.
104 °Cshown 104 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
51 °C 124 °F [4] Occupational Safety and Health Administration (OSHA)
Density: 1.29 @ 20°C[6]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source
– 1.29 at 68 °F (liquid,40% solution) (USCG, 1999) - Denser than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
– Relative density (water = 1): 1.27 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.29 [4] Occupational Safety and Health Administration (OSHA)
–shown 1.29 @ 20°C [6] PAC Chemical Database, U.S. Department of Energy
Solubility in water: In water, miscible at 20 °C[5]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– greater than or equal to 100 mg/mL at 72 °F (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.
–shown In water, miscible at 20 °C [5] Hazardous Substances Data Bank (HSDB)cites Union Carbide; Aldehydes. New York, NY: Union Carbide Corp (1974)
log P: -0.85[3]
Vapor pressure: 255 mmHg at 25 °C (extrapolated)[5]
4 values
2 of 4 sources agree on it (most common value).
Value As written Source
18 mmHg 18 mmHg at 68 °F (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.
255 mmHgshown 255 mm Hg at 25 °C /extrapolated/ [5] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
18 mmHg Vapor pressure, kPa at 20 °C: 2.4 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
255 mmHg 255 [mm Hg] @25 °C [6] PAC Chemical Database, U.S. Department of Energy
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Flash point: 220 °C (428 °F, NTP 1992)[1]
3 values
2 of 2 sources agree on it (most common value).
Value As written Source
220 °Cshown 428 °F (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.
> 100 °C >100 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
220 °C 428 °F [4] Occupational Safety and Health Administration (OSHA)
Autoignition temperature: 285 °C[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
285 °C 545 °F (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.
285 °Cshown 285 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	Glyoxal appears as yellow crystals melting at15 °C. Hence often encountered as a light yellow liquid with a weak sour odor. Vapor has a green color and burns with a violet flame.	[1] CAMEO Chemicals
–	CBI; Dry Powder; Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS-TO-PALE-YELLOW LIQUID.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Yellow prisms which turn white on cooling; soluble in anhydrous solvents. Often encountered as a light yellow liquid with a weak sour odor. Vapor has a green color and burns with a violet flame.	[4] Occupational Safety and Health Administration (OSHA)
–shown	Yellow crystals or light yellow liquid	[5] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 543

Value	As written	Source
15 °C	59 °F (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.
−14 °C	-14 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
15 °C	59 °F	[4] Occupational Safety and Health Administration (OSHA)
15 °Cshown	15 °C	[6] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
51 °C	124 °F at 776 mmHg (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.
104 °Cshown	104 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
51 °C	124 °F	[4] Occupational Safety and Health Administration (OSHA)

Value	As written	Source
–	1.29 at 68 °F (liquid,40% solution) (USCG, 1999) - Denser than water	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–	Relative density (water = 1): 1.27	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.29	[4] Occupational Safety and Health Administration (OSHA)
–shown	1.29 @ 20°C	[6] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	greater than or equal to 100 mg/mL at 72 °F (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.
–shown	In water, miscible at 20 °C	[5] Hazardous Substances Data Bank (HSDB)cites Union Carbide; Aldehydes. New York, NY: Union Carbide Corp (1974)

Value	As written	Source
18 mmHg	18 mmHg at 68 °F (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.
255 mmHgshown	255 mm Hg at 25 °C /extrapolated/	[5] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
18 mmHg	Vapor pressure, kPa at 20 °C: 2.4	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
255 mmHg	255 [mm Hg] @25 °C	[6] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
220 °Cshown	428 °F (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.
> 100 °C	>100 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
220 °C	428 °F	[4] Occupational Safety and Health Administration (OSHA)

Value	As written	Source
285 °C	545 °F (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.
285 °Cshown	285 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

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: 4
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 0
H-bond acceptors: 2
Rotatable bonds: 1
TPSA (Å²): 34.1
Formal charge: 0
XLogP3: -0.4 PubChem
Complexity: 25 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C2h of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C41.39%
H3.47%
O55.13%

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: -0.62 Crippen (Wildman and Crippen 1999)
log S (water solubility): 0.25 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 3.18 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 58.04
log P ≤ 5 (Crippen): -0.62
H-bond donors ≤ 5: 0
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

Warning

Harmonized EU classification (CLP Annex VI). Source [7].

Harmful or irritant
Health hazard

H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H332Harmful if inhaled
H341Suspected of causing genetic defects

Precautionary statements: P203, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P405, P501

View all classifications (3)

[7] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · WarningH315, H317, H319, H332, H341
[8] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1432) of reports.
[8] European Chemicals Agency (ECHA) · 1,432 reports · DangerH302+H332, H302, H319, H332, H334, H335

Exposure limits

TLV: 0.1 mg/m[3]
TLV-TWA (Time Weighted Average): 0.1 mg/m³ (inhalable fraction and vapor) [1999][4]
MAK (Maximale Arbeitsplatz Konzentration): Skin absorption (H); sensitization of skin (SH); carcinogen category: 3[3]

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]
Fresh air, rest.[3]
Remove contaminated clothes. Rinse skin with plenty of water or shower.[3]
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.[3]

Storage

Well closed.[3]
During storage it may spontaneously polymerize and ignite.[5]

Incompatibilities

Mixture of vapor and air may explode.[5]
Reacts violently with chlorosulfonic acid; ethylene imine; oleum; sodium hydroxide; nitric acid.[5]
An aqueous solution monomolecular glyoxal and reacts weakly to acid.[5]
Mixtures with air may explode, and contact with water causes violent polymerization. Like formaldehyde, pure glyoxal may polymerize exothermically and ignite in storage.[5]

Safety data sheets on the supplier’s page: LGC Standards, Thermo Fisher Scientific, ChemoSapiens.

Always read the supplier’s safety data sheet before working with it.

Spectra

1H NMRSpectraBase
13C NMRSpectraBase
GC-MSNIST Mass Spectrometry Data Center · SpectraBase
Other MSHazardous Substances Data Bank (HSDB)
UVHazardous Substances Data Bank (HSDB)
IRHazardous Substances Data Bank (HSDB)
FTIRSpectraBase (Neat)
ATR-IRSpectraBase
RamanSpectraBase

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]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
[5]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[6]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[7]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
[8]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[9]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[10]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.