4-Isopropylbenzoic acid
ALDRICH/268402 - ≥96%
Synonym: Cumic acid; Cuminic acid
CAS Number: 536-66-3
Empirical Formula (Hill Notation): C10H12O2
Molecular Weight: 164.20
EC Number: 208-642-5
MDL Number: MFCD00002564
Linear Formula: (CH3)2CHC6H4CO2H
Product Type: Chemical
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This image depicts SKU: 268402-5G
This image depicts SKU: 268402-5G
| assay | ≥96% |
| InChI | 1S/C10H12O2/c1-7(2)8-3-5- |
| InChI key | CKMXAIVXVKGGFM-UHFFFAOYSA |
| mp | 117-120 °C (lit.) |
| Quality Level | 100  |
| SMILES string | CC(C)c1ccc(cc1)C(O)=O |
| solubility | alcohol: soluble(lit.) |
| diethyl ether: soluble(lit.) | |
| sulfuric acid: soluble(lit.) | |
| water: slightly soluble(lit.) |
| Application: | 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. |
| Packaging: | 5, 25 g in poly bottle |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | ≥96% |
| mp | 117-120 °C (lit.) |
| UNSPSC | 12352100 |