Glutaric acid (C5H8O4): structure, properties and hazards

Names and identifiers

IUPAC name: pentanedioic acid
Synonyms: pentanedioic acid, Pentanedioic acid, 1,5-Pentanedioic acid
+ 36 more
glutarate, 1,3-Propanedicarboxylic acid, Pentandioic acid, n-Pyrotartaric acid, DTXSID2021654, CHEBI:17859, H849F7N00B, NSC-9238, DTXCID401654, hydron;pentanedioate, RefChem:5863, CHEBI:24329, 203-817-2, Pentanedioate, propane-1,3-dicarboxylic acid, MFCD00004410, Adipic Acid EP Impurity A, Abacavir related, NSC9238, CAS-110-94-1, HSDB 5542, NSC 9238, EINECS 203-817-2, BRN 1209725, Glutarsaeure, Pentandioate, UNII-H849F7N00B, AI3-24247, 1czc, 1,5-Pentanedioate, Glutaric acid, 99%, 4lh3, 1,3-Propanedicarboxylate, Glutaric acid (Standard), WLN: QV3VQ, bmse000406
Molecular formula: C₅H₈O₄
Empirical formula: C₅H₈O₄
Molecular weight: 132.11 g/mol
Exact mass: 132.04226
CAS number: 110-94-1
PubChem CID: 743
Canonical SMILES: C(CC(=O)O)CC(=O)O
Isomeric SMILES: C(CC(=O)O)CC(=O)O
InChI: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKey: JFCQEDHGNNZCLN-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Glutaric acid appears as colorless crystals or white solid. (NTP, 1992)[1]
4 values
From CAMEO Chemicals, the most authoritative source here.
Value As written Source
–shown Glutaric acid appears as colorless crystals or white solid. (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.
– Liquid; Other Solid; Liquid; CBI; Dry Powder [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS CRYSTALS. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– COLORLESS CRYSTALS [4] Hazardous Substances Data Bank (HSDB)cites Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 416
Melting point: 97.5 °C (207.5 °F, NTP 1992)[1]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
97.5 °Cshown 207.5 °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.
98 °C 98 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Boiling point: 302 to 304 °C (576 to 579 °F) at 760 mmHg (decomposes) (NTP, 1992)[1]
Density: 1.424 at 25 °C (77 °F) (NTP, 1992) - Denser than water[1]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
–shown 1.424 at 77 °F (NTP, 1992) - Denser than water [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.
– 1.4 g/cm³ [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Solubility in water: Solubility in water, g/100ml at 20 °C: 63.9[3]
2 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– greater than or equal to 100 mg/mL at 70 °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 Solubility in water, g/100ml at 20 °C: 63.9 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
log P: -0.47/-0.08 (calculated)[3]
Vapor pressure: 1 mmHg at 155.5 °C (311.9 °F)[1]
2 values
Only one source reports it.
Value As written Source
1 mmHgshown 1 mmHg at 311.9 °F [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.
10 mmHg 10 mmHg at 384.8 °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.

Value	As written	Source
–shown	Glutaric acid appears as colorless crystals or white solid. (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.
–	Liquid; Other Solid; Liquid; CBI; Dry Powder	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS CRYSTALS.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	COLORLESS CRYSTALS	[4] Hazardous Substances Data Bank (HSDB)cites Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 416

Value	As written	Source
97.5 °Cshown	207.5 °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.
98 °C	98 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–shown	1.424 at 77 °F (NTP, 1992) - Denser than water	[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.
–	1.4 g/cm³	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	greater than or equal to 100 mg/mL at 70 °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	Solubility in water, g/100ml at 20 °C: 63.9	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
1 mmHgshown	1 mmHg at 311.9 °F	[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.
10 mmHg	10 mmHg at 384.8 °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.

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: 9
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0.6
H-bond donors: 2
H-bond acceptors: 2 computed here · PubChem 4
Rotatable bonds: 4
TPSA (Å²): 74.6
Formal charge: 0
XLogP3: -0.3 PubChem
Complexity: 104 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

C45.46%
H6.10%
O48.44%

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: 0.33 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.6 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.63 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 132.12
log P ≤ 5 (Crippen): 0.33
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

Most widely reported: 350 company reports to ECHA. Source [5].

Corrosive
Harmful or irritant

H314Causes severe skin burns and eye damage (49.7% of reports)
H318Causes serious eye damage (53.4% of reports)
H319Causes serious eye irritation (42.9% of reports)

Precautionary statements: P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P405, P501

View all classifications (2)

[5] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 3.7% (13 of 350) of reports.
[5] European Chemicals Agency (ECHA) · 350 reports · DangerH314, H318, H319

Exposure limits

MAK (Maximale Arbeitsplatz Konzentration): (inhalable fraction): 2 mg/m[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

Separated from bases.[3]

Safety data sheets on the supplier’s page: Thermo Fisher Scientific, Sigma-Aldrich, BOC Sciences.

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]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]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[5]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[6]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[7]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[8]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[9]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
[10]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[11]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%.