chempirical

Nonyl acetate

C11H22O2CAS 143-13-5186.29 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
0.868 g/mL (at 20 °C)
Melting point
−26 °C
Boiling point
210 °C
logP
3.30Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
143-13-5
SMILES
CCCCCCCCCOC(C)=O
InChIKey
GJQIMXVRFNLMTB-UHFFFAOYSA-N
InChI
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • Acetic acid, nonyl ester
  • Nonyl alcohol, acetate
  • Acetic acid n-nonyl ester
  • Nonanol acetate
  • n-Nonanyl acetate
  • n-Nonyl acetate
  • n-Nonyl ethanoate
  • Pelargonyl acetate
  • 1-Nonyl acetate
  • 1-Acetoxynonane
  • NSC 82356

Work with Nonyl acetate

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

Heptyl acetate112-06-1100 % similar Octyl acetate112-14-1100 % similar Decyl acetate112-17-4100 % similar Dodecyl acetate112-66-3100 % similar Hexyl acetate142-92-7100 % similar Octadecyl acetate822-23-1100 % similar Amyl acetate628-63-796 % similar Butyl acetate123-86-483 % 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 Ethyl nonanoate123-29-5 Isoamyl hexanoate2198-61-0 2-Ethylhexyl glycidyl ether2461-15-6 7-Methoxy-3,7-dimethyloctanal3613-30-7 Pentyl hexanoate540-07-8

Elsewhere

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