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...

基本信息

化学结构

分子式

C₇H₈O₃

分子量

140.13662

精确质量

140.04734412

电荷

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

计算属性

JChem

Acid pKa

9.5311165

质子受体

质子供体

LogD (pH = 5.5)

1.0689099

LogD (pH = 7.4)

1.0657519

Log P

1.0689503

摩尔折射率

38.246

极化性

13.83092

极化表面积

46.53

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

ETHYL MALTOL2-ethyl-3-hydroxy-4-pyrone2-Ethyl pyromeconic acid2-乙基-3-羟基-4H-吡喃-4-酮Ethyl maltol2-Ethyl-3-hydroxy-4H-pyran-4-one乙基麦芽酚2-Ethyl-3-hydroxy-4H-pyran-4-one2-乙基-3-羟基-4H-吡喃-4-酮乙基麦芽酚Ethyl maltolNSC 28292-Methyl-3-hydroxy-4-pyroneLarixic AcidVeltolNSC 4044583-Hydroxy-2-methyl-1,4-pyroneLarixinPalatone2-Methyl-3-hydroxypyran-4-one2-Methyl-3-hydroxypyrone3-Hydroxy-2-methyl-4H-pyran-4-oneMaltol2-ethyl-3-hydroxy-4H-pyran-4-one

IUPAC标准名

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

IUPAC传统名

ethyl maltol

名称和标识

数据登录号

PubChem CID

21059

CHEMBL

121557

CAS号

4940-11-8118-71-8