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Succinic acid

Athanor · official

C4H6O4 · 118.09 g/mol

IUPAC name: butanedioic acid

Also called succinate, butanedioic acid, E363

Metabolites
Open in Athanor
The structure of Succinic acid
Drawn from its SMILES with RDKit
CorrosiveHarmful or irritantDangerCauses serious eye damage · Causes serious eye irritation

Names and identifiers

IUPAC name
butanedioic acid
Synonyms
succinate, butanedioic acid, E363
+ 36 more

Amber acid, Asuccin, Wormwood acid, Dihydrofumaric acid, Katasuccin, Bernsteinsaure, 1,2-Ethanedicarboxylic acid, ethylenesuccinic acid, 1,4-Butanedioic acid, Succinicum acidum, Butandisaeure, Acidum succinicum, Butanedionic acid, Kyselina jantarova, Ethylene dicarboxylic acid, acide succinique, Bernsteinsaeure, acide butanedioique, DTXSID6023602, AB6MNQ6J6L, NSC-106449, FEMA NO. 4719, HOOC-CH2-CH2-COOH, DTXCID303602, CHEBI:15741, 1,2 Ethanedicarboxylic Acid, Succinate, Potassium, 1,4 Butanedioic Acid, RefChem:6501, 203-740-4, butanedioate;hydron, Butane diacid, Bernsteinsaure [German], Kyselina jantarova [Czech], MFCD00002789, HSDB 791

Molecular formula
C4H6O4
Empirical formula
C2H3O2
Molecular weight
118.09 g/mol
Exact mass
118.02661
CAS number
110-15-6
PubChem CID
1110
Canonical SMILES
C(CC(=O)O)C(=O)O
Isomeric SMILES
C(CC(=O)O)C(=O)O
InChI
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey
KDYFGRWQOYBRFD-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity
Appearance
Triclinic or monoclinic prisms[3]
3 values

From Hazardous Substances Data Bank (HSDB), the most authoritative source here.

ValueAs writtenSource
–Succinic acid appears as white crystals or shiny white odorless crystalline powder. pH of 0.1 molar solution: 2.7. Very acid taste. (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)
–shownTriclinic or monoclinic prisms[3] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1793
Melting point
185 °C[4]
3 values

2 of 3 sources agree on it (most common value).

ValueAs writtenSource
184 to 185 °C363 to 365 °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.
188 °C188 °C[3] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1793
185 °Cshown185 °C[4] PAC Chemical Database, U.S. Department of Energy
Boiling point
235 °C[3]
3 values

3 of 3 sources agree on it (most common value).

ValueAs writtenSource
235 °C455 °F at 760 mmHg (Decomposes) (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.
235 °Cshown235 °C[3] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1793
235 °C235 °C @760 [mm Hg][4] PAC Chemical Database, U.S. Department of Energy
Density
1.572 @ 25 °C/4 °C[3]
3 values

Only one source reports it.

ValueAs writtenSource
–1.572 at 68 °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.
1.572 g/mLshown1.572 @ 25 °C/4 °C[3] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1793
–1.154 @ 15°C[4] PAC Chemical Database, U.S. Department of Energy
Solubility in water
In water, 8.32 × 10⁴ mg/L @ 25 °C[3]
3 values

From Hazardous Substances Data Bank (HSDB), the most authoritative source here.

ValueAs writtenSource
–5 to 10 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.
–Soluble in ethanol, ethyl ether, acetone, methanol; slightly soluble in deuterated dimethyl formamide; insoluble in toluene, benzene.[3] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1793
–shownIn water, 8.32X10+4 mg/L @ 25 °C[3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan., Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. CRC Press LLC, Boca Raton, FL. 2003., p. 97
log P
log Kow = -0.59[3]
pKa
pK1 = 4.207, pK2 = 5.635 at 25 °C[3]
Flash point
160 °C (open cup)[3]
Refractive index
Index of refraction = 1.450[3]

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)
0.5
H-bond donors
2
H-bond acceptors
2 computed here · PubChem 4
Rotatable bonds
3
TPSA (Ų)
74.6
Formal charge
0
XLogP3
-0.6 PubChem
Complexity
92 PubChem
Stereocenters
None
Double-bond geometry
None specified
Point group
C2 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C40.68%
  • H5.12%
  • O54.19%

Isotope pattern

100%118.0274.5%119.030120.031

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
-0.06 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-0.33 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
1.61 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 118.09
  • log P ≤ 5 (Crippen): -0.06
  • 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: 2,311 company reports to ECHA. Source [5].

  • Corrosive
  • Harmful or irritant
  • H318Causes serious eye damage (82.6% of reports)
  • H319Causes serious eye irritation (12.8% of reports)

Precautionary statements: P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317

View all classifications (2)
  • [5] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 3.4% (78 of 2311) of reports.
  • [5] European Chemicals Agency (ECHA) · 2,311 reports · DangerH318, H319

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]

Safety data sheets on the supplier’s page: Enamine, Sigma-Aldrich, AstaTech, Inc..

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]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
  2. [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
  3. [3]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  4. [4]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
  5. [5]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  6. [6]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  7. [7]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  8. [8]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  9. [9]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  10. [10]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  11. [11]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  12. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  13. ·Literature on PubChem

Data last updated 2026-10-14.