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30989-07-2

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Basic Information
CAS No.: 30989-07-2
Name: tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] borate
Molecular Structure:
Molecular Structure of 30989-07-2 (tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] borate)
Formula: C24H51BO12
Molecular Weight: 542.47
Synonyms: Boric acid tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] ester;Tris{2-[2-(2-ethoxyethoxy)ethoxy]ethyl} borate;
EINECS: 250-420-5
Density: 1.037 g/cm3
Boiling Point: 530 °C at 760 mmHg
Flash Point: 274.4 °C
PSA: 110.76000
LogP: 1.23020
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  • Ethanol,2-[2-(2-ethoxyethoxy)ethoxy]-, triester with boric acid (H<sub>3</sub>BO<sub>3</sub>) (8CI,9CI)

  • Casno:

    30989-07-2

    Ethanol,2-[2-(2-ethoxyethoxy)ethoxy]-, triester with boric acid (H3BO3) (8CI,9CI)

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Specification

The Ethanol,2-[2-(2-ethoxyethoxy)ethoxy]-, triester with boric acid (H3BO3) (8CI,9CI), with the CAS registry number 30989-07-2, is also known as Boric acid tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] ester. Its EINECS number is 250-420-5. This chemical's molecular formula is C24H51BO12 and molecular weight is 542.47. What's more, its systematic name is Tris{2-[2-(2-ethoxyethoxy)ethoxy]ethyl} borate. 

Physical properties of Ethanol,2-[2-(2-ethoxyethoxy)ethoxy]-, triester with boric acid (H3BO3) (8CI,9CI) are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 2.98; (6)ACD/BCF (pH 7.4): 2.98; (7)ACD/KOC (pH 5.5): 75.98; (8)ACD/KOC (pH 7.4): 75.98; (9)#H bond acceptors: 12; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 33; (12)Polar Surface Area: 110.76 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 137.6 cm3; (15)Molar Volume: 522.9 cm3; (16)Polarizability: 54.55×10-24 cm3; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.037 g/cm3; (19)Flash Point: 274.4 °C; (20)Enthalpy of Vaporization: 77.5 kJ/mol; (21)Boiling Point: 530 °C at 760 mmHg; (22)Vapour Pressure: 8.7E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(OCCOCCOCCOCC)(OCCOCCOCCOCC)OCCOCCOCCOCC
(2)InChI: InChI=1S/C24H51BO12/c1-4-26-7-10-29-13-16-32-19-22-35-25(36-23-20-33-17-14-30-11-8-27-5-2)37-24-21-34-18-15-31-12-9-28-6-3/h4-24H2,1-3H3
(3)InChIKey: YFJWCDDEPLQFDW-UHFFFAOYSA-N