Amyl acetate

C7H14O2CAS 628-63-7130.19 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C7H14O2
Molar mass
130.19 g/mol
Exact mass
130.0994 Da
Density
0.8756 g/mL (at 20 °C)
Melting point
−70.8 °C
Boiling point
149.2 °C
Water solubility
2 g/L
logP
1.74Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Flammable (GHS02)

Harmonised EU classification (CLP Annex VI, index 607-130-00-2[1]), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
628-63-7
SMILES
CCCCCOC(C)=O
InChIKey
PGMYKACGEOXYJE-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3

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Names and synonyms

15 names · show all
  • Acetic acid, pentyl ester
  • Acetic acid, amyl ester
  • 1-Pentyl acetate
  • Pentyl acetate
  • n-Pentyl acetate
  • n-Amyl acetate
  • Birnenoel
  • n-Pentyl ethanoate
  • 1-Acetoxypentane
  • ZED-N 50
  • Pentyl ethanoate
  • NSC 7923
  • n-Amyl ethanoate
  • X-AR 600-54/6
  • Acetic acid 1-pentyl ester

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 628-63-7. Each row opens the sheet with its composition and PDF.

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Work with Amyl 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 acetate112-06-196 % similar Octyl acetate112-14-196 % similar Decyl acetate112-17-496 % similar Dodecyl acetate112-66-396 % similar Hexyl acetate142-92-796 % similar Nonyl acetate143-13-596 % similar Octadecyl acetate822-23-196 % similar Butyl acetate123-86-487 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propyl butyrate105-66-8 Methyl hexanoate106-70-7 4-Methoxy-4-methyl-2-pentanone107-70-0 Ethyl isovalerate108-64-5 Enanthic acid111-14-8 2,2-Dimethylpentanoic acid1185-39-3 Isoamyl acetate123-92-2 tert-Butyl propionate20487-40-5

Elsewhere

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