chempirical

Sebacic acid

C10H18O4CAS 111-20-6202.25 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C10H18O4
Molar mass
202.25 g/mol
Exact mass
202.1205 Da
Density
1.23 g/mL
Melting point
130.8 °C
Boiling point
294.5 °C
Flash point
220 °C
Water solubility
1 g/L
logP
2.28Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
9

Hazards

Not classified as hazardous under GHS by 2,766 ECHA notifiers. Aggregated from 2,766 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
111-20-6
SMILES
O=C(O)CCCCCCCCC(=O)O
InChIKey
CXMXRPHRNRROMY-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

6 names
  • Decanedioic acid
  • 1,8-Octanedicarboxylic acid
  • 1,10-Decanedioic acid
  • n-Decanedioic acid
  • NSC 19492
  • NSC 97405

Work with Sebacic 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.

Disodium sebacate17265-14-4Salt

Similar compounds

Pimelic acid111-16-0100 % similar Azelaic acid123-99-9100 % similar Pentadecanedioic acid1460-18-0100 % similar Undecanedioic acid1852-04-6100 % similar Heptadecanedioic acid2424-90-0100 % similar Eicosanedioic acid2424-92-2100 % similar Suberic acid505-48-6100 % similar Brassylic acid505-52-2100 % similar

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

Same formula

3-(1,1-Dimethylethyl)hexanedioic acid10347-88-3 1,4-Dioxaspiro[4.5]decane-8,8-diyldimethanol1256546-72-1 Diethyl adipate141-28-6 Dimethyl suberate1732-09-8 1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-9 Dibutyl oxalate2050-60-4 Monomethyl azelate2104-19-0 Propylmalonic acid diethyl ester2163-48-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia