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| CAS No.: | 2438-04-2 |
|---|---|
| Name: | 2-propan-2-ylbenzoic acid |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C10H12O2 |
| Molecular Weight: | 164.204 |
| Synonyms: | Benzoicacid, o-isopropyl- (6CI,7CI,8CI);2-(1-Methylethyl)benzoic acid;2-Isopropylbenzoic acid;o-Isopropylbenzoic acid; |
| Density: | 1.08g/cm3 |
| Melting Point: | 62-64 C |
| Boiling Point: | 269.9°C at 760mmHg |
| Flash Point: | 127.3°C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.30000 |
| LogP: | 2.50820 |
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- Total:22 Page 1 of 1 1
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Specification
The 2-Isopropylbenzoic acid, with CAS registry number 2438-04-2, belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its systematic name and its IUPAC name are the same, which is 2-(propan-2-yl)benzoic acid. Besides this, it is also called Benzoic acid, 2-(1-methylethyl)-.
Preparation: this chemical can be prepared by 1-(2-isopropyl-phenyl)-ethanone. This reaction will need reagent Br2, NaOH and solvent H2O. The reaction time is 1 hour(s) with reaction temperature of 0 ℃. The yield is about 85%.
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Uses of 2-Isopropylbenzoic acid: it can be used to produce 2-isopropyl-benzyl alcohol. This reaction will need reagent LiAlH4 and solvent diethyl ether. The reaction time is 4 hour(s). The yield is about 99%.
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When you are using this chemical, please be cautious about it as the following:
The 2-Isopropylbenzoic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1C(C)C
(2)InChI: InChI=1/C10H12O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3,(H,11,12)
(3)InChIKey: BANZVKGLDQDFDV-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3,(H,11,12)
(5)Std. InChIKey: BANZVKGLDQDFDV-UHFFFAOYSA-N