CAS 94-26-8|butylparaben|n-Butyl p-hydroxybenzoate|butyl 4-hydroxybenzoate|Butyl paraben|p-HYDROXYBENZOIC ACID n-BUTYL ESTER|BUTYL-p-HYDROXYBENZOATE|4-羟基苯甲酸丁酯|对羟基苯甲酸丁酯|Butylparaben|bu...

General Information

Structure

Molecular Formula

C₁₁H₁₄O₃

Molecular Mass

194.22706

Exact Mass

194.09429431

Charge

InChI

InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3

InChIKey

QFOHBWFCKVYLES-UHFFFAOYSA-N

Canonic Smiles

CCCCOC(=O)c1ccc(cc1)O

Isomeric Smiles

CCCCOC(=O)c1ccc(O)cc1

Calculated Properties

JChem

Acid pKa

8.500022

H Acceptors

H Donor

LogD (pH = 5.5)

2.9966254

LogD (pH = 7.4)

2.9640975

Log P

2.9970565

Molar Refractivity

53.9378

Polarizability

20.877161

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

butylparaben

Synonyms

n-Butyl p-hydroxybenzoateButyl parabenp-HYDROXYBENZOIC ACID n-BUTYL ESTERBUTYL-p-HYDROXYBENZOATE对羟基苯甲酸丁酯4-羟基苯甲酸丁酯Butylparabenbutyl parabenbutyl parahydroxybenzoatebutyl p-hydroxybenzoateSPF对羟基苯甲酸正丁酯Butyl 4-hydroxybenzoatep-Hydroxybenzoic acid n-butyl esterButylparaben4-(Butoxycarbonyl)phenol4-Hydroxybenzoic Acid Butyl EsterButyl ChemoseptButobenSolbrol BPreserval BButyl Tegoseptn-ButylparabenAseptoform ButylButyl ButexButyl ParabenButyl 4-Hydroxybenzoate4-Hydroxybenzoic acid n-butyl estern-Butyl 4-hydroxybenzoateButyl 4-hydroxybenzoateButylparaben对羟基苯甲酸正丁酯

IUPAC name

butyl 4-hydroxybenzoate

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem CID

Wikipedia Title