CAS 4940-11-8|CAS 118-71-8|ETHYL MALTOL|2-ethyl-3-hydroxy-4H-pyran-4-one|ethyl maltol|2-ethyl-3-hydroxy-4-pyrone|2-Ethyl pyromeconic acid|2-乙基-3-羟基-4H-吡喃-4-酮|Ethyl maltol|乙基麦芽酚|2-Ethyl-3...

General Information

Structure

Molecular Formula

C₇H₈O₃

Molecular Mass

140.13662

Exact Mass

140.04734412

Charge

InChI

InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3

InChIKey

YIKYNHJUKRTCJL-UHFFFAOYSA-N

Canonic Smiles

CCc1occc(=O)c1O

Isomeric Smiles

CCc1c(O)c(=O)cco1

Calculated Properties

JChem

Acid pKa

9.5311165

H Acceptors

H Donor

LogD (pH = 5.5)

1.0689099

LogD (pH = 7.4)

1.0657519

Log P

1.0689503

Molar Refractivity

38.246

Polarizability

13.83092

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

ETHYL MALTOL2-ethyl-3-hydroxy-4-pyrone2-Ethyl pyromeconic acid2-乙基-3-羟基-4H-吡喃-4-酮Ethyl maltol乙基麦芽酚2-Ethyl-3-hydroxy-4H-pyran-4-one2-乙基-3-羟基-4H-吡喃-4-酮2-Ethyl-3-hydroxy-4H-pyran-4-oneEthyl maltol乙基麦芽酚NSC 28292-Methyl-3-hydroxy-4-pyroneLarixic Acid2-Methyl-3-hydroxypyronePalatoneVeltol2-Methyl-3-hydroxypyran-4-one3-Hydroxy-2-methyl-1,4-pyroneNSC 404458Larixin3-Hydroxy-2-methyl-4H-pyran-4-oneMaltol2-ethyl-3-hydroxy-4H-pyran-4-one

IUPAC name

2-ethyl-3-hydroxy-4H-pyran-4-one

IUPAC Traditional name

ethyl maltol

Names and Identifiers

Registration numbers

PubChem CID

21059

CHEMBL

121557

Wikipedia Title

Ethyl_maltol