4-(tert-Butyl)-2-ethoxybenzoic acid supplier

Name
4-(t-Butyl)-2-Ethoxy Benzoic Acid
EINECS
CAS No. 796875-53-1
Article Data2
CAS DataBase
Density 1.062 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈O₃
Boiling Point 329.6 °C at 760 mmHg
Molecular Weight 222.284
Flash Point 118.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(t-Butyl)-2-ethoxy benzoic acid;
PSA 46.53000
LogP 3.08100

4-(tert-Butyl)-2-ethoxybenzoic acid Specification

The Benzoicacid, 4-(1,1-dimethylethyl)-2-ethoxy-, with the CAS registry number of 796875-53-1, is also known as 4-(t-Butyl)-2-ethoxy benzoic acid. This chemical's molecular formula is C₁₃H₁₈O₃ and molecular weight is 222.28022. What's more, its systematic name is called 4-Tert-butyl-2-ethoxy-benzoic acid.

Physical properties about the Benzoicacid, 4-(1,1-dimethylethyl)-2-ethoxy- are: (1)ACD/LogP: 3.71; (2)ACD/LogD (pH 5.5): 2.6; (3)ACD/LogD (pH 7.4): 0.95; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 46.53 Å²; (8)Index of Refraction: 1.513; (9)Molar Refractivity: 62.88 cm³; (10)Molar Volume: 209.1 cm³; (11)Surface Tension: 36.4 dyne/cm; (12)Density: 1.062 g/cm³; (13)Flash Point: 118.9 °C; (14)Enthalpy of Vaporization: 60.39 kJ/mol; (15)Boiling Point: 329.6 °C at 760 mmHg; (16)Vapour Pressure: 7.07E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOc1cc(ccc1C(O)=O)C(C)(C)C
(2) InChI: InChI=1/C13H18O3/c1-5-16-11-8-9(13(2,3)4)6-7-10(11)12(14)15/h6-8H,5H2,1-4H3,(H,14,15)
(3) InChIKey: UZRSFWUQUGFVBS-UHFFFAOYAP

Product Name

4-(t-Butyl)-2-Ethoxy Benzoic Acid

4-(tert-Butyl)-2-ethoxybenzoic acid Specification

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