4-Isopropylbenzoic acid
Synonym(s):Cumic acid;Cuminic acid
- CAS NO.：536-66-3
- Empirical Formula: C10H12O2
- Molecular Weight: 164.2
- MDL number: MFCD00002564
- EINECS: 208-642-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-06 19:41:26
What is 4-Isopropylbenzoic acid?
Chemical properties
white crystalline powder
The Uses of 4-Isopropylbenzoic acid
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.
What are the applications of Application
4-Isopropylbenzoic acid is used in the synthesis of triorganotin carboxylates
Definition
ChEBI: A cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4.
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.
Properties of 4-Isopropylbenzoic acid
| 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 |
| 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 for 4-Isopropylbenzoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 4-Isopropylbenzoic acid
| InChIKey | CKMXAIVXVKGGFM-UHFFFAOYSA-N |
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