chempirical

Ethyl nonanoate

C11H22O2CAS 123-29-5186.29 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C11H22O2
Molar mass
186.29 g/mol
Exact mass
186.1620 Da
Density
0.863–0.867 g/mL
Melting point
−36.7 °C
Boiling point
227 °C
logP
3.30Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Hazards

Not classified as hazardous under GHS by 1,680 ECHA notifiers. Aggregated from 1,680 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
123-29-5
SMILES
CCCCCCCCC(=O)OCC
InChIKey
BYEVBITUADOIGY-UHFFFAOYSA-N
InChI
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3

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

Names and synonyms

7 names
  • Nonanoic acid, ethyl ester
  • Ethyl nonylate
  • Ethyl pelargonate
  • Wine ether
  • Pelargonic acid ethyl ester
  • Ethyl n-nonanoate
  • NSC 8901

Work with Ethyl nonanoate

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

Ethyl heptanoate106-30-9100 % similar Ethyl octanoate106-32-1100 % similar Ethyl dodecanoate106-33-2100 % similar Ethyl decanoate110-38-3100 % similar Ethyl stearate111-61-5100 % similar Ethyl myristate124-06-1100 % similar Ethyl heptadecanoate14010-23-2100 % similar Ethyl eicosanoate18281-05-5100 % similar

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

Same formula

Hexyl 2-methylbutanoate10032-15-2 Methyl decanoate110-42-9 Undecylic acid112-37-8 2,2-Dimethylnonanoic acid14250-75-0 Nonyl acetate143-13-5 Isoamyl hexanoate2198-61-0 2-Ethylhexyl glycidyl ether2461-15-6 7-Methoxy-3,7-dimethyloctanal3613-30-7

Elsewhere

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