Benzoic acid,4-(2-hydroxyethoxy)- supplier

Name
4-(2-HYDROXY-ETHOXY)-BENZOIC ACID
EINECS
CAS No. 1711-24-6
Article Data15
CAS DataBase
Density 1.301 g/cm³
Solubility
Melting Point 177-179 °C
Formula C₉H₁₀O₄
Boiling Point 371.7 °C at 760 mmHg
Molecular Weight 182.176
Flash Point 153.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, p-(2-hydroxyethoxy)- (6CI,7CI,8CI);p-(2-Hydroxyethoxy)benzoic acid;4-(2-Hydroxyethoxy)benzoic acid;4-(2-Hydroxyethyloxy)benzoic acid;p-(Hydroxyethoxy)benzoic acid;p-(b-Hydroxyethoxy)benzoic acid;
PSA 66.76000
LogP 0.75590

Benzoic acid,4-(2-hydroxyethoxy)- Specification

The Benzoic acid,4-(2-hydroxyethoxy)-, with the CAS registry number 1711-24-6, is also known as p-(2-Hydroxyethoxy)benzoic acid. This chemical's molecular formula is C₉H₁₀O₄ and molecular weight is 182.17. What's more, its systematic name is 4-(2-Hydroxyethoxy)benzoic acid.

Physical properties of Benzoic acid,4-(2-hydroxyethoxy)- are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6.09; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 44.76 Å²; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 46.02 cm³; (13)Molar Volume: 139.9 cm³; (14)Polarizability: 18.24×10^-24cm³; (15)Surface Tension: 55.8 dyne/cm; (16)Density: 1.301 g/cm³; (17)Flash Point: 153.2 °C; (18)Enthalpy of Vaporization: 65.27 kJ/mol; (19)Boiling Point: 371.7 °C at 760 mmHg; (20)Vapour Pressure: 3.5E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-(4-chloro-phenoxy)-ethanol and carbon dioxide at the temperature of -78 °C. This reaction will need reagent n-BuLi and solvent tetrahydrofuran with the reaction time of 15 min. The yield is about 72%.

Benzoic acid,4-(2-hydroxyethoxy)- can be prepared by 2-(4-chloro-phenoxy)-ethanol and carbon dioxide at the temperature of -78 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)O)OCCO
(2)InChI: InChI=1S/C9H10O4/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2,(H,11,12)
(3)InChIKey: QLIQIXIBZLTPGQ-UHFFFAOYSA-N

Product Name

4-(2-HYDROXY-ETHOXY)-BENZOIC ACID

Benzoic acid,4-(2-hydroxyethoxy)- Specification

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