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Name |
2-Isopropylbenzoic acid |
EINECS | N/A |
CAS No. | 2438-04-2 | Density | 1.08g/cm3 |
PSA | 37.30000 | LogP | 2.50820 |
Solubility | N/A | Melting Point |
62-64 C |
Formula | C10H12O2 | Boiling Point | 269.9°C at 760mmHg |
Molecular Weight | 164.204 | Flash Point | 127.3°C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzoicacid, o-isopropyl- (6CI,7CI,8CI);2-(1-Methylethyl)benzoic acid;2-Isopropylbenzoic acid;o-Isopropylbenzoic acid; |
Article Data | 21 |
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%.
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%.
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