Adipic acid

Athanor · official

C₆H₁₀O₄ · 146.14 g/mol

IUPAC name: hexanedioic acid

Also called hexanedioic acid, nylon 66 monomer

Reagents

Open in Athanor

Drawn from its SMILES with RDKit

WarningCauses serious eye irritation

Names and identifiers

IUPAC name: hexanedioic acid
Synonyms: hexanedioic acid, nylon 66 monomer, Adipinic acid
+ 36 more
1,4-Butanedicarboxylic acid, Adilactetten, Acifloctin, Acinetten, 1,6-Hexanedioic acid, Molten adipic acid, Kyselina adipova, FEMA No. 2011, Adipinsaure, Acide adipique, Adipidic acid, DTXSID7021605, NSC-7622, 76A0JE0FKJ, INS NO.355, AI3-03700, INS-355, E-355, E355, DTXCID301605, CHEBI:30832, hexanedioate;hydron, adipic acid, Cu salt, RefChem:6372, adipic acid, Mg salt (1:1), adipic acid, Cu(+2) salt (1:1), 204-673-3, 432-790-1, Adipinsaure [German], Acide adipique [French], Kyselina adipova [Czech], Hexanedioate, Adipinsaeure, adipic-acid, Hexanedioc acid, Adi-pure
Molecular formula: C₆H₁₀O₄
Empirical formula: C₃H₅O₂
Molecular weight: 146.14 g/mol
Exact mass: 146.05791
CAS number: 124-04-9
PubChem CID: 196
Canonical SMILES: C(CCC(=O)O)CC(=O)O
Isomeric SMILES: C(CCC(=O)O)CC(=O)O
InChI: InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless[5]
7 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Adipic acid is a white crystalline solid. It is insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. It is used to make plastics and foams and for other uses. [1] CAMEO Chemicals
– Other Solid; Dry Powder; Large Crystals; Other Solid; CBI; Large Crystals; Liquid; Other Solid; Dry Powder; Liquid; Liquid [2] EPA Chemical Data Reporting (CDR)
– ODOURLESS COLOURLESS CRYSTALLINE POWDER. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– White crystalline solid [4] Occupational Safety and Health Administration (OSHA)
– White monoclinic prisms [5] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V2:100
– White crystalline solid [5] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 26
–shown Colorless [5] Hazardous Substances Data Bank (HSDB)cites Oppenheim JP, Dickerson GL; Adipic Acid. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2015). New York, NY: John Wiley & Sons. Online Posting Date: Apr 29, 2014.
Odor: Odorless[5]
Melting point: 152 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
151 °C 304 °F (USCG, 1999) [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.
152 °Cshown 152 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
151 °C 304 °F [4] Occupational Safety and Health Administration (OSHA)
Boiling point: 338 °C[3]
Density: 1.36 g/cm³[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
– 1.36 at 68 °F (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.
–shown 1.36 g/cm³ [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.36 [4] Occupational Safety and Health Administration (OSHA)
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Solubility in water: Solubility in water, g/100ml at 15 °C: 1.4 (moderate)[3]
4 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– In water, 3.00X10+4 mg/L at 30 °C [5] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 285
– 1.4 g/100 mL water at 10 °C [5] Hazardous Substances Data Bank (HSDB)cites Dean, J.A. Handbook of Organic Chemistry. New York, NY: McGraw-Hill Book Co., 1987., p. 1-251
– For more Solubility (Complete) data for ADIPIC ACID (7 total), please visit the HSDB record page. [5] Hazardous Substances Data Bank (HSDB)
–shown Solubility in water, g/100ml at 15 °C: 1.4 (moderate) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
log P: 0.08[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 0.08 [5] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 23
–shown 0.08 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
pKa: pKa1 = 4.44 at 25 °C[5]
4 values
Only one source reports it.
Value As written Source
–shown pKa1 = 4.44 at 25 °C [5] Hazardous Substances Data Bank (HSDB)cites Serjeant, E.P., Dempsey B.; Ionisation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry (IUPAC). IUPAC Chemical Data Series No. 23, 1979. New York, New York: Pergamon Press, Inc.
– pKa2 = 5.44 at 25 °C [5] Hazardous Substances Data Bank (HSDB)cites Serjeant, E.P., Dempsey B.; Ionisation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry (IUPAC). IUPAC Chemical Data Series No. 23, 1979. New York, New York: Pergamon Press, Inc.
– pKa1 = 4.418 [5] Hazardous Substances Data Bank (HSDB)cites Dean, J.A. Handbook of Organic Chemistry. New York, NY: McGraw-Hill Book Co., 1987., p. 8-3
– pKa2 = 5.412 at 25 °C [5] Hazardous Substances Data Bank (HSDB)cites Dean, J.A. Handbook of Organic Chemistry. New York, NY: McGraw-Hill Book Co., 1987., p. 8-3
Vapor pressure: Vapor pressure, Pa at 18.5 °C: 10[3]
2 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
2.27e-7 mmHg 3.02X10-5 Pa at 25 °C (2.27X10-7 mm Hg) [5] Hazardous Substances Data Bank (HSDB)cites Chattopadhyay S, Ziemann PJ; Aerosol Science and Technology, 39:1085-1100 (2005). Available from, as of Feb 16, 2015: https://www.tandfonline.com/doi/pdf/10.1080/02786820500421547
0.075 mmHgshown Vapor pressure, Pa at 18.5 °C: 10 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Flash point: 196 °C c.c.[3]
4 values
2 of 4 sources agree on it (most common value).
Value As written Source
191 °C 376 °F Combustible solid (USCG, 1999) [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.
196 °C 385 °F, 196 °C (closed cup) [5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-11
196 °Cshown 196 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
191 °C 376 °F [4] Occupational Safety and Health Administration (OSHA)
Autoignition temperature: 788 °F, 420 °C[5]
4 values
2 of 3 sources agree on it (most common value).
Value As written Source
420 °C 788 °F [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.
232 °C 450 °F (USCG, 1999) [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.
420 °Cshown 788 °F, 420 °C [5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-11
422 °C 422 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: Viscosity of melt: 4.54 cP at 160 °C[5]
2 values
Only one source reports it.
Value As written Source
–shown Viscosity of melt: 4.54 cP at 160 °C [5] Hazardous Substances Data Bank (HSDB)cites Oppenheim JP, Dickerson GL; Adipic Acid. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2015). New York, NY: John Wiley & Sons. Online Posting Date: Apr 29, 2014.
– 2.64 cP at 193 °C [5] Hazardous Substances Data Bank (HSDB)cites Oppenheim JP, Dickerson GL; Adipic Acid. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2015). New York, NY: John Wiley & Sons. Online Posting Date: Apr 29, 2014.

Value	As written	Source
–	Adipic acid is a white crystalline solid. It is insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. It is used to make plastics and foams and for other uses.	[1] CAMEO Chemicals
–	Other Solid; Dry Powder; Large Crystals; Other Solid; CBI; Large Crystals; Liquid; Other Solid; Dry Powder; Liquid; Liquid	[2] EPA Chemical Data Reporting (CDR)
–	ODOURLESS COLOURLESS CRYSTALLINE POWDER.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	White crystalline solid	[4] Occupational Safety and Health Administration (OSHA)
–	White monoclinic prisms	[5] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V2:100
–	White crystalline solid	[5] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 26
–shown	Colorless	[5] Hazardous Substances Data Bank (HSDB)cites Oppenheim JP, Dickerson GL; Adipic Acid. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2015). New York, NY: John Wiley & Sons. Online Posting Date: Apr 29, 2014.

Value	As written	Source
151 °C	304 °F (USCG, 1999)	[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.
152 °Cshown	152 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
151 °C	304 °F	[4] Occupational Safety and Health Administration (OSHA)

Value	As written	Source
–	1.36 at 68 °F (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.
–shown	1.36 g/cm³	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.36	[4] Occupational Safety and Health Administration (OSHA)

Value	As written	Source
–	In water, 3.00X10+4 mg/L at 30 °C	[5] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 285
–	1.4 g/100 mL water at 10 °C	[5] Hazardous Substances Data Bank (HSDB)cites Dean, J.A. Handbook of Organic Chemistry. New York, NY: McGraw-Hill Book Co., 1987., p. 1-251
–	For more Solubility (Complete) data for ADIPIC ACID (7 total), please visit the HSDB record page.	[5] Hazardous Substances Data Bank (HSDB)
–shown	Solubility in water, g/100ml at 15 °C: 1.4 (moderate)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	log Kow = 0.08	[5] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 23
–shown	0.08	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–shown	pKa1 = 4.44 at 25 °C	[5] Hazardous Substances Data Bank (HSDB)cites Serjeant, E.P., Dempsey B.; Ionisation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry (IUPAC). IUPAC Chemical Data Series No. 23, 1979. New York, New York: Pergamon Press, Inc.
–	pKa2 = 5.44 at 25 °C	[5] Hazardous Substances Data Bank (HSDB)cites Serjeant, E.P., Dempsey B.; Ionisation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry (IUPAC). IUPAC Chemical Data Series No. 23, 1979. New York, New York: Pergamon Press, Inc.
–	pKa1 = 4.418	[5] Hazardous Substances Data Bank (HSDB)cites Dean, J.A. Handbook of Organic Chemistry. New York, NY: McGraw-Hill Book Co., 1987., p. 8-3
–	pKa2 = 5.412 at 25 °C	[5] Hazardous Substances Data Bank (HSDB)cites Dean, J.A. Handbook of Organic Chemistry. New York, NY: McGraw-Hill Book Co., 1987., p. 8-3

Value	As written	Source
2.27e-7 mmHg	3.02X10-5 Pa at 25 °C (2.27X10-7 mm Hg)	[5] Hazardous Substances Data Bank (HSDB)cites Chattopadhyay S, Ziemann PJ; Aerosol Science and Technology, 39:1085-1100 (2005). Available from, as of Feb 16, 2015: https://www.tandfonline.com/doi/pdf/10.1080/02786820500421547
0.075 mmHgshown	Vapor pressure, Pa at 18.5 °C: 10	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
191 °C	376 °F Combustible solid (USCG, 1999)	[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.
196 °C	385 °F, 196 °C (closed cup)	[5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-11
196 °Cshown	196 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
191 °C	376 °F	[4] Occupational Safety and Health Administration (OSHA)

Value	As written	Source
420 °C	788 °F	[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.
232 °C	450 °F (USCG, 1999)	[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.
420 °Cshown	788 °F, 420 °C	[5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-11
422 °C	422 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–shown	Viscosity of melt: 4.54 cP at 160 °C	[5] Hazardous Substances Data Bank (HSDB)cites Oppenheim JP, Dickerson GL; Adipic Acid. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2015). New York, NY: John Wiley & Sons. Online Posting Date: Apr 29, 2014.
–	2.64 cP at 193 °C	[5] Hazardous Substances Data Bank (HSDB)cites Oppenheim JP, Dickerson GL; Adipic Acid. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2015). New York, NY: John Wiley & Sons. Online Posting Date: Apr 29, 2014.

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: 10
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0.67
H-bond donors: 2
H-bond acceptors: 2 computed here · PubChem 4
Rotatable bonds: 5
TPSA (Å²): 74.6
Formal charge: 0
XLogP3: 0.1 PubChem
Complexity: 114 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

C49.31%
H6.90%
O43.79%

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: 0.72 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.87 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.59 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 146.14
log P ≤ 5 (Crippen): 0.72
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

Warning

Harmonized EU classification (CLP Annex VI). Source [6].

Harmful or irritant

NFPA 704[5]

H319Causes serious eye irritation

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

View all classifications (4)

[6] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · WarningH319
[7] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (2 of 5531) of reports.
[7] European Chemicals Agency (ECHA) · 5,531 reports · WarningH319
[5] Hazardous Substances Data Bank (HSDB) · DangerH318, H402

Exposure limits

TLV: 5 mg/m[3]
TLV-TWA (Time Weighted Average): 5 mg/m³ [1990][4]

First aid

Inhalation: Remove victim to fresh air; get medical attention if irritation persists. Eyes: Flush with water for at least 15 min. Skin: Flush with water. (USCG, 1999)[1]
Fresh air, rest. Refer for medical attention.[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

Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): Non Combustible Solids.[5]
Storage temperature: Ambient; venting: Open[5]

Incompatibilities

Incompatible materials: Strong oxidizing agents.[5]
Can react with oxidizing materials.[5]

Safety data sheets on the supplier’s page: CD Formulation, Cooke Chemical Co., Ltd, CATO Research Chemicals 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]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]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
[7]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[8]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[9]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[10]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[11]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
[12]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[13]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.