chempirical

Octyl acetate

C10H20O2CAS 112-14-1172.27 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C10H20O2
Molar mass
172.27 g/mol
Exact mass
172.1463 Da
Melting point
−38.5 °C
Boiling point
210 °C
logP
2.91Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Identifiers

CAS number
112-14-1
SMILES
CCCCCCCCOC(C)=O
InChIKey
YLYBTZIQSIBWLI-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • Acetic acid, octyl ester
  • Octyl alcohol acetate
  • Caprylyl acetate
  • n-Octyl acetate
  • 1-Octyl acetate
  • 1-Acetoxyoctane
  • 1-Octanol acetate
  • NSC 67348
  • Acetic acid octanyl ester
  • Octyl ethanoate
  • Octanyl acetate

Work with Octyl 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 Decyl acetate112-17-4100 % 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

2-Ethylhexyl acetate103-09-3 Isobutyl hexanoate105-79-3 Ethyl octanoate106-32-1 Hydroxycitronellal107-75-5 4-Ethyloctanoic acid16493-80-4 1,1-Diethoxycyclohexane1670-47-9 Methyl nonanoate1731-84-6 Pentyl pentanoate2173-56-0

Elsewhere

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