2-Ethoxyethyl Benzoate supplier

Name
BENZOIC ACID 2-ETHOXYETHYL ESTER
EINECS
CAS No. 5451-72-9
Article Data3
CAS DataBase
Density 1.06 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O₃
Boiling Point 244.3 °C at 760 mmHg
Molecular Weight 194.23
Flash Point 95.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanol,2-ethoxy-, benzoate (7CI,8CI,9CI);2-Ethoxyethyl benzoate;NSC 21853;
PSA 35.53000
LogP 1.87990

2-Ethoxyethyl Benzoate Specification

This chemical is called 2-Ethoxyethyl Benzoate, and its CAS registry number is 5451-72-9. With the molecular formula of C₁₁H₁₄O₃, its molecular weight is 194.23. Additionally, it should be sealed in the cool and dry place.

Other characteristics of the 2-Ethoxyethyl Benzoate can be summarised as followings: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 53.66 cm³; (9)Molar Volume: 183.2 cm³; (10)Polarizability: 21.27×10^-24cm³; (11)Surface Tension: 36.7 dyne/cm; (12)Density: 1.06 g/cm³; (13)Flash Point: 95.6 °C; (14)Enthalpy of Vaporization: 48.13 kJ/mol; (15)Boiling Point: 244.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0306 mmHg at 25°C.

Production method of this chemical: The 2-Ethoxyethyl Benzoate could be obtained by the reactants of 2-ethoxy-ethanol, bromobenzene and carbon monoxide. This reaction needs the reagent of t-AmOH, NaH, and the solvent of tetrahydrofuran. The yield is 81 %. In addition, this reaction should be taken for 15 hours at the temperature of 40 °C. The other condition is irradiation.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCOCC)c1ccccc1
2.InChI: InChI=1/C11H14O3/c1-2-13-8-9-14-11(12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
3.InChIKey: KPHLTQOKDPSIGL-UHFFFAOYAK

Product Name

BENZOIC ACID 2-ETHOXYETHYL ESTER

2-Ethoxyethyl Benzoate Specification

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