chempirical

Monomethyl azelate

C10H18O4CAS 2104-19-0202.25 g/mol

Open in Covalent MOL file
OOOOH
Carboxylic acidEster

Properties

Molecular formula
C10H18O4
Molar mass
202.25 g/mol
Exact mass
202.1205 Da
Melting point
21–24 °C
Boiling point
190–195 °C
logP
1.97Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2104-19-0
SMILES
COC(=O)CCCCCCCC(=O)O
InChIKey
VVWPSAPZUZXYCM-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O4/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

11 names
  • Nonanedioic acid, 1-methyl ester
  • Azelaic acid, monomethyl ester
  • Nonanedioic acid, monomethyl ester
  • Azelaic acid, methyl ester
  • 8-Carbomethoxyoctanoic acid
  • Methyl hydrogen azelate
  • Monomethyl nonanedioate
  • Methyl 8-carboxyoctanoate
  • Monomethyl azelaate
  • 9-Methoxy-9-oxononanoic acid
  • NSC 60226

Work with Monomethyl azelate

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

Similar compounds

1-Methyl octanedioate3946-32-5100 % similar Monomethyl sebacate818-88-2100 % similar Monomethyl adipate627-91-896 % similar Monomethyl glutarate1501-27-592 % similar Monomethyl succinate3878-55-574 % similar Dimethyl sebacate106-79-672 % similar Dimethyl octadecanedioate1472-93-172 % similar 1,12-Dimethyl dodecanedioate1731-79-972 % similar

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

Same formula

3-(1,1-Dimethylethyl)hexanedioic acid10347-88-3 Sebacic acid111-20-6 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 Propylmalonic acid diethyl ester2163-48-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook