CAS 94-13-3|propylparaben|4-Hydroxybenzoic acid propyl ester|p-Hydroxybenzoic acid propyl ester|propyl 4-hydroxybenzoate|Propyl paraben|Propyl 4-hydroxybenzoate|n-PROPYL p-HYDROXYBENZOATE|n-PROPYL-p...

基本信息

化学结构

分子式

C₁₀H₁₂O₃

分子量

180.20048

精确质量

180.07864424

电荷

InChI

InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3

InChIKey

QELSKZZBTMNZEB-UHFFFAOYSA-N

Canonic Smiles

CCCOC(=O)c1ccc(cc1)O

Isomeric Smiles

CCCOC(=O)c1ccc(O)cc1

计算属性

JChem

LogD (pH = 7.4)

2.52

LogD (pH = 5.5)

2.55

Log P

2.55

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

8.50

极化表面积

46.53

极化性

19.35

摩尔折射率

49.34

LOG S

-2.05

数据来源

名称和标识

IUPAC传统名

propylparaben

别名

4-Hydroxybenzoic acid propyl esterp-Hydroxybenzoic acid propyl esterPropyl parabenPropyl 4-hydroxybenzoaten-PROPYL p-HYDROXYBENZOATEn-PROPYL-p-HYDROXYBENZOATEpropyl 4-hydroxybenzoatePropylparaben4-Hydroxybenzoes?urepropylesterpropyl parabenpropyl p-hydroxybenzoatepropyl parahydroxybenzoatenipasolE216对羟基安息香酸丙酯尼泊金丙酯Propyl 4-hydroxybenzoate对羟基苯甲酸丙酯Propylis parahydroxybenzoasPropylparabenBonomold OPPropyl p-HydroxybenzoateMekkings PAseptoform PPropylparabenNSC 23515n-PropylparabenChemocide PKPropylparasept4-Hydroxybenzoic acid n-propyl ester对羟基苯甲酸正丙酯Propyl ChemoseptPropyl Parabenn-Propyl 4-hydroxybenzoatePropyl parahydroxybenzoaten-propyl parabenPropyl p-hydroxybenzoatepropyl paraben4-Hydroxybenzoic acid, propyl estern-Propyl 4-hydroxybenzoatepropylparabenp-Oxybenzoesaeurepropylestern-Propyl p-hydroxybenzoate4-Hydroxybenzoic acid propyl esterp-Hydroxybenzoic acid propyl esterp-Hydroxybenzoic propyl esterp-Hydroxypropyl benzoate

IUPAC标准名

propyl 4-hydroxybenzoate

名称和标识

数据登录号

EC号

CAS号

Chemspider ID

PubChem CID