4-Ethylbenzoic acid

The 4-Ethylbenzoic acid, with the CAS registry number 619-64-7, is also known as Benzoic acid, 4-ethyl-. It belongs to the product categories of Carboxylicacid; Fine Chemical & Intermediates; Liquid Crystal Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Phenyls & Phenyl-Het; Benzoic Acids (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Carboxylic Acids; Phenyls & Phenyl-Het; C9; Carbonyl Compounds. Its EINECS registry number is 210-605-3. This chemical's molecular formula is C₉H₁₀O₂ and molecular weight is 150.1745. Its IUPAC name is called 4-ethylbenzoic acid.

Physical properties of 4-Ethylbenzoic acid: (1)ACD/LogP: 2.89; (2)ACD/LogD (pH 5.5): 1.71; (3)ACD/LogD (pH 7.4): 0.09; (4)ACD/BCF (pH 5.5): 6.16; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 59.36; (7)ACD/KOC (pH 7.4): 1.42; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 42.73 cm³; (13)Molar Volume: 134.7 cm³; (14)Surface Tension: 43.4 dyne/cm; (15)Density: 1.114 g/cm³; (16)Flash Point: 125.1 °C; (17)Enthalpy of Vaporization: 53.72 kJ/mol; (18)Boiling Point: 270.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00338 mmHg at 25°C.

Preparation of 4-Ethylbenzoic acid: this chemical can be prepared by 4-ethyl-benzaldehyde. This reaction will need reagents aqueous sodium hydrogencarbonate solution and aqueous hydrogen peroxide.

Uses of 4-Ethylbenzoic acid: it can be used to produce 4-ethyl-benzaldehyde at temperature of 60 °C. This reaction will need reagents pivalic anhydride, aq. K₃PO₄, NaH₂PO₂ and solvent tetrahydrofuran with reaction time of 16 hours. The yield is about 74%.

The 4-Ethylbenzoic acid can be used as intermediates of pesticides tebufenozide and armour oxygen tebufenozide. In addition, it can be used for liquid crystal materials. What's more, this chemical can be used in the production of pesticides and chemical intermediates.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes and respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC=C(C=C1)C(=O)O
(2)InChI: InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
(3)InChIKey: ZQVKTHRQIXSMGY-UHFFFAOYSA-N