ChemicalBook Product Catalog Chemical Reagents Organic reagents Esters Propyl Ester compound Isopropylparaben

Isopropylparaben

Product NameIsopropylparaben
CAS4191-73-5
MFC10H12O3
MW180.2
EINECS224-069-3
MOL File4191-73-5.mol

Chemical Properties

Melting point	84-86°C
Boiling point	160 °C / 5mmHg
Density	1.132±0.06 g/cm3(Predicted)
vapor pressure	0.155Pa at 25℃
storage temp.	Sealed in dry,2-8°C
solubility	Soluble in Chloroform, Ethyl Acetate.
form	powder to lump
pka	8.40±0.15(Predicted)
color	White
Water Solubility	1.204g/L
BRN	2641564
Cosmetics Ingredients Functions	PRESERVATIVE
Cosmetic Ingredient Review (CIR)	Isopropylparaben (4191-73-5)
LogP	2.316 at 25℃
CAS DataBase Reference	4191-73-5(CAS DataBase Reference)
NIST Chemistry Reference	Isopropyl-4-hydroxybenzoate(4191-73-5)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
RTECS	DH2250000
HazardClass	IRRITANT
HS Code	2918290090

MSDS

Provider	Language
ALFA	English

Usage And Synthesis

Chemical Properties

White Solid

Uses

It is used as a preservative in cosmetics.

Uses

An antimicrobial

Definition

ChEBI: Isopropylparaben is a 4-hydroxybenzoate ester.

Contact allergens

This substance is one of the parabens family. Parabens are esters formed by p-hydroxybenzoic acid and an alcohol. They are largely used as biocides in cosmetics and toiletries, medicaments, or food. They have synergistic power with other biocides. Parabens can induce allergic contact dermatitis, mainly in chronic dermatitis and wounded skin.

Synthesis

67-63-0

99-96-7

4191-73-5

GENERAL METHOD: Thionyl chloride (1.16 g, 1.5 eq.) was slowly added dropwise to a solution of p-hydroxybenzoic acid (1.0 g, 1.0 eq.) dissolved in isopropanol (15 ml) at 0 °C. The reaction mixture was heated to reflux under nitrogen protection until thin layer chromatography (TLC) monitoring showed complete consumption of p-hydroxybenzoic acid. After completion of the reaction, the solvent was removed by distillation under reduced pressure. The crude product was purified by silica gel column chromatography with the eluent being a solvent mixture of ethyl acetate/hexane to give the final isopropyl 4-hydroxybenzoate.

References

[1] Synthesis, 2003, # 16, p. 2479 - 2482
[2] Phosphorus, Sulfur and Silicon and the Related Elements, 2004, vol. 179, # 6, p. 1187 - 1191
[3] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 6, p. 1564 - 1569
[4] Journal of the Society of Chemical Industry, London, 1947, vol. 66, p. 175
[5] Archiv der Pharmazie (Weinheim, Germany), 1938, vol. 276, p. 154,162

Isopropylparaben

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MSDS

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