chempirical

Ethyl maltol

C7H8O3CAS 4940-11-8140.14 g/mol

Open in Covalent MOL file
OOHO
Phenol

Properties

Molecular formula
C7H8O3
Molar mass
140.14 g/mol
Exact mass
140.0473 Da
Melting point
89–93 °C
logP
0.91Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
4940-11-8
SMILES
CCc1occc(=O)c1O
InChIKey
YIKYNHJUKRTCJL-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • 4H-Pyran-4-one, 2-ethyl-3-hydroxy-
  • 2-Ethyl-3-hydroxy-4H-pyran-4-one
  • 2-Ethylpyromeconic acid
  • 3-Hydroxy-2-ethyl-1,4-pyrone
  • 3-Hydroxy-2-ethyl-4-pyrone
  • 3-Hydroxy-2-ethyl-γ-pyrone
  • 2-Ethyl-3-hydroxy-4-pyrone
  • Veltol plus
  • NSC 638851
  • 2-Ethyl-3-hydroxypyran-4-one
  • 2-Ethyl-3-hydroxy-pyran-4-one

Work with Ethyl maltol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Maltol118-71-855 % similar 5,7-Dihydroxychromone31721-94-533 % similar 3-Hydroxy-4-pyrone496-63-933 % similar Maltol propionate68555-63-533 % similar Deferiprone30652-11-033 % similar Chromone491-38-332 % similar 2-Ethylfuran3208-16-031 % similar

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

Same formula

Ethyl 2-furoate1335-40-6 5-Methoxyresorcinol2174-64-3 Methyl 5-methyl-2-furancarboxylate2527-96-0 3,5-Dihydroxybenzyl alcohol29654-55-5 Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-5 2-Acetyl-1,3-cyclopentanedione3859-39-0 3,4-Dihydroxybenzyl alcohol3897-89-0 Methyl 3-methyl-2-furancarboxylate6141-57-7

Elsewhere

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