4-Isopropylbenzoic acid Chemical Properties

Melting point:

117-120 °C (lit.)

Boiling point:

271.8°C

Density 

d4 1.162

refractive index 

1.5198 (estimate)

storage temp. 

Inert atmosphere,Room Temperature

solubility 

alcohol: soluble(lit.)

form 

Crystalline Powder

pka

4.35±0.10(Predicted)

color 

White

Odor

Very faint, green-woody-spicy odor, resembling sap from wood, yet overall dry

Water Solubility 

sparingly soluble

Merck 

14,2618

InChIKey

CKMXAIVXVKGGFM-UHFFFAOYSA-N

CAS DataBase Reference

536-66-3(CAS DataBase Reference)

NIST Chemistry Reference

Benzoic acid, 4-(1-methylethyl)-(536-66-3)

EPA Substance Registry System

4-Isopropylbenzoic acid (536-66-3)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-20/21/22

Safety Statements 

26-36-36/37/39

WGK Germany 

3

RTECS 

DH3850500

TSCA 

Yes

HS Code 

29163990

MSDS

• Language:English Provider:4-Isopropylbenzoic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Isopropylbenzoic acid Usage And Synthesis

Chemical Properties

white crystalline powder

Uses

4-Isopropylbenzoic acid (cuminic acid) was used in the synthesis of three new triorganotin carboxylates bearing methyl, butyl and phenyl substituents at tin, respectively. The products were fully characterized by spectroscopic and thermal techniques, with regard to the coordination number of tin atom, in solution and in the solid state.

Production Methods

4-Isopropylbenzoic acid is produced 1) by oxidation of Cuminic aldehyde (evt. in the presence of water). 2) by oxidation of para-Cymene under alkaline or acid conditions.

Definition

ChEBI: A cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4.

4-Isopropylbenzoic acid(536-66-3)Related Product Information

• 4-Isopropylphenol
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• Isoproterenol
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