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Isopropylparaben

Isopropylparaben structure

CAS No:
4191-73-5
Formula:
C10H12O3
Chemical Name:
Isopropylparaben
Synonyms:
Benzoic acid,4-hydroxy-,1-methylethyl ester;Benzoic acid,p-hydroxy-,isopropyl ester;p-Hydroxybenzoic acid isopropyl ester;Isopropyl p-hydroxybenzoate;Isopropyl 4-hydroxybenzoate;Isopropylparaben;4-Hydroxybenzoic acid isopropyl ester
Categories:
Cosmetic Ingredient > Cosmetic Preservative

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Description

White Solid

Isopropylparaben is a 4-hydroxybenzoate ester.

Isopropylparaben Basic Attributes

Molecular Weight：

180.20000

Exact Mass：

180.20

EC Number：

224-069-3

UNII：

A6EOX47QK0

DSSTox ID：

DTXSID3052858

Characteristics

PSA：

46.53000

XLogP3：

2.8

Density：

1.132g/cm3

Melting Point：

84-86ºC

Boiling Point：

160ºC / 5mmHg

Flash Point：

120.4ºC

Refractive Index：

1.529

Storage Conditions：

0-6ºC

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

DH2250000

Marks：

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (35.85%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 118 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

i-Pr 4-OH-benzoate

Isopropylparaben Use and Manufacturing

Methods of Manufacturing

General procedure: Thionyl chloride (1.16 g, 1.5 equiv) was added drop-wise to a solution of acid (1.0 g, 1.0 equiv) in the corresponding alcohol (15 ml) at 0&d eg;C. The solution was refluxed under a nitrogen atmosphere until all starting material was consumed (TLC monitoring). Then the solvent was removed under vacuo and the residue was purified by silica gel column chromatography eluting with ethyl acetate/n-hexane to afford the corresponding carboxylic esters.#10;

Uses

An antimicrobial

Use Classification：

Cosmetics -> Preservative

Computed Properties

Molecular Weight:180.20
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Aluminum isopropoxide

Isopropanol

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CAS No.: 4191-73-5

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Guide of Isopropylparaben

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Isopropylparaben

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