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4-Isopropylbenzoic acid

Base Information Edit
  • Chemical Name:4-Isopropylbenzoic acid
  • CAS No.:536-66-3
  • Molecular Formula:C10H12O2
  • Molecular Weight:164.204
  • Hs Code.:29163990
  • European Community (EC) Number:208-642-5
  • NSC Number:20083,1907
  • UNII:6LP0WTM1JB
  • DSSTox Substance ID:DTXSID6060210
  • Nikkaji Number:J6.354A
  • Wikidata:Q1143809
  • Metabolomics Workbench ID:46896
  • ChEMBL ID:CHEMBL116158
  • Mol file:536-66-3.mol
4-Isopropylbenzoic acid

Synonyms:4-isopropylbenzoate;4-isopropylbenzoic acid;cumic acid;p-cumate

Suppliers and Price of 4-Isopropylbenzoic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 4-(1-Methylethyl)benzoicAcid
  • 1g
  • $ 145.00
  • TCI Chemical
  • 4-Isopropylbenzoic Acid >98.0%(GC)(T)
  • 25g
  • $ 135.00
  • Sigma-Aldrich
  • 4-Isopropylbenzoic acid ≥98%
  • 5g
  • $ 52.80
  • Sigma-Aldrich
  • 4-Isopropylbenzoic acid ≥98%
  • 25g
  • $ 140.00
  • Medical Isotopes, Inc.
  • 4-(1-Methylethyl)benzoicAcid
  • 25 g
  • $ 1250.00
  • Medical Isotopes, Inc.
  • 4-(1-Methylethyl)benzoicAcid
  • 10 g
  • $ 825.00
  • Matrix Scientific
  • 4-Isopropylbenzoic acid 95+%
  • 100g
  • $ 123.00
  • Matrix Scientific
  • 4-Isopropylbenzoic acid 95+%
  • 25g
  • $ 41.00
  • Frontier Specialty Chemicals
  • 4-Isopropylbenzoic acid 98%
  • 100g
  • $ 466.00
  • Frontier Specialty Chemicals
  • 4-Isopropylbenzoic acid 98%
  • 5g
  • $ 35.00
Total 105 raw suppliers
Chemical Property of 4-Isopropylbenzoic acid Edit
Chemical Property:
  • Appearance/Colour:white crystalline powder 
  • Vapor Pressure:0.00308mmHg at 25°C 
  • Melting Point:117-120 °C(lit.) 
  • Refractive Index:1.535 
  • Boiling Point:271.8 °C at 760 mmHg 
  • PKA:4.35±0.10(Predicted) 
  • Flash Point:128.1 °C 
  • PSA:37.30000 
  • Density:1.08g/cm3 
  • LogP:2.50820 
  • Storage Temp.:Inert atmosphere,Room Temperature 
  • Solubility.:alcohol: soluble(lit.) 
  • Water Solubility.:sparingly soluble 
  • XLogP3:3.4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:2
  • Exact Mass:164.083729621
  • Heavy Atom Count:12
  • Complexity:155
Purity/Quality:

99.9% *data from raw suppliers

4-(1-Methylethyl)benzoicAcid *data from reagent suppliers

Safty Information:
  • Pictogram(s): IrritantXi, HarmfulXn 
  • Hazard Codes:Xi,Xn 
  • Statements: 36/37/38-20/21/22 
  • Safety Statements: 26-36-36/37/39 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Canonical SMILES:CC(C)C1=CC=C(C=C1)C(=O)O
  • 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.
Technology Process of 4-Isopropylbenzoic acid

There total 113 articles about 4-Isopropylbenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With diethylene glycol dimethyl ether; at 70 ℃; for 0.5h; Sonication;
Guidance literature:
With dipotassium peroxodisulfate; oxygen; CrH6Mo6O24(3-)*3H3N*3H(1+); In water; at 50 ℃; for 24h; under 760.051 Torr; Green chemistry;
DOI:10.1039/d1dt01967h
Guidance literature:
4-iodocumene; malononitrile; With copper(l) iodide; caesium carbonate; L-proline; In dimethyl sulfoxide; at 130 ℃; for 24h; Inert atmosphere;
In dimethyl sulfoxide; at 140 ℃; for 12h;
With hydrogenchloride; In water; pH=2 - 3;
DOI:10.1039/c0cc04319b
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