chempirical

Decyl acetate

C12H24O2CAS 112-17-4200.32 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C12H24O2
Molar mass
200.32 g/mol
Exact mass
200.1776 Da
Density
0.8671 g/mL (at 20 °C)
Melting point
−15 °C
Boiling point
244 °C
logP
3.69Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

Hazards

Not classified as hazardous under GHS by 1,576 ECHA notifiers. Aggregated from 1,576 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
112-17-4
SMILES
CCCCCCCCCCOC(C)=O
InChIKey
NUPSHWCALHZGOV-UHFFFAOYSA-N
InChI
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Acetic acid, decyl ester
  • Decyl alcohol, acetate
  • Acetate C 10
  • n-Decyl acetate
  • 1-Decanol acetate
  • 1-Decyl acetate
  • Decanyl acetate
  • NSC 46131
  • 1-Acetoxydecane

Work with Decyl 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 Dodecyl acetate112-66-3100 % similar Hexyl acetate142-92-7100 % similar Nonyl acetate143-13-5100 % 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

Ethyl decanoate110-38-3 Octyl butyrate110-39-4 1,1-Bis(1-methylethoxy)cyclohexane1132-95-2 Lauric acid143-07-7 Methyl undecanoate1731-86-8 Butyl octanoate589-75-3 Hexyl hexanoate6378-65-0

Elsewhere

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