chempirical

Adipic acid

C6H10O4CAS 124-04-9146.14 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C6H10O4
Molar mass
146.14 g/mol
Exact mass
146.0579 Da
Density
1.36 g/mL (at 25 °C)
Melting point
152 °C
Boiling point
338 °C
pKa
4.44 (25 °C), 5.44 (25 °C)
Flash point
196 °C (closed cup)
Water solubility
1,600 g/L
logP
0.72Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
124-04-9
SMILES
O=C(O)CCCCC(=O)O
InChIKey
WNLRTRBMVRJNCN-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all
  • Hexanedioic acid
  • Adipinic acid
  • 1,4-Butanedicarboxylic acid
  • 1,6-Hexanedioic acid
  • Acifloctin
  • Acinetten
  • Adilactetten
  • Asapic
  • Inipol DS
  • E 355
  • NSC 7622
  • NSC 87836
  • Rhodiacid AA
  • Edenol 1208

Reactions

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 124-04-9. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Adipic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ammonium adipate3385-41-9Salt Piperazine adipate142-88-1Salt Serotonin adipate16031-83-7Salt Ammonium adipate19090-60-9Salt Spiramycin adipate68880-55-7Salt

Similar compounds

Pimelic acid111-16-093 % similar Sebacic acid111-20-693 % similar Azelaic acid123-99-993 % similar Pentadecanedioic acid1460-18-093 % similar Undecanedioic acid1852-04-693 % similar Heptadecanedioic acid2424-90-093 % similar Eicosanedioic acid2424-92-293 % similar Suberic acid505-48-693 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dimethyl succinate106-65-0 Monoethyl succinate1070-34-4 Glycol diacetate111-55-7 Glucal13265-84-4 Monomethyl glutarate1501-27-5 2-Methylglutaric acid18069-17-5 D-Galactal21193-75-9 Methyl 4-methoxyacetoacetate41051-15-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia