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2467-13-2

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Basic Information
CAS No.: 2467-13-2
Name: TRIS-2-ETHYLHEXYL BORATE
Article Data: 7
Molecular Structure:
Molecular Structure of 2467-13-2 (TRIS-2-ETHYLHEXYL BORATE)
Formula: C24H51 B O3
Molecular Weight: 398.478
Synonyms: 1-Hexanol,2-ethyl-, borate (6CI,7CI,8CI); Boric acid (H3BO3), tris(2-ethylhexyl) ester(9CI); NSC 97597; Tris(2-ethylhexyl) borate
Density: 0.853g/cm3
Boiling Point: 361.3°Cat760mmHg
Flash Point: 121.8°C
Safety: Moderately toxic by ingestion. An eye irritant. Combustible when exposed to heat or flame. Can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS and BORON COMPOUNDS.
PSA: 27.69000
LogP: 7.67030
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Chemistry

EINECS of Tris(2-ethylhexyl) borate (CAS NO.2467-13-2): 219-581-9 
Empirical Formula: C24H51BO3
Molecular Weight: 398.4709 g/mol
Index of Refraction: 1.434
Density: 0.853 g/cm3
Flash Point: 121.8 °C
Enthalpy of Vaporization: 58.32 kJ/mol
Boiling Point: 361.3 °C at 760 mmHg
Vapour Pressure: 4.35E-05 mmHg at 25 °C
Structure of Tris(2-ethylhexyl) borate (CAS NO.2467-13-2):
                 
IUPAC Name: Tris(2-ethylhexyl) borate
Canonical SMILES: B(OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC
InChI: InChI=1S/C24H51BO3/c1-7-13-16-22(10-4)19-26-25(27-20-23(11-5)17-14-8-2)
28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChIKey: DLVYHYUFIXLWKV-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 100 mg MLD

     14KTAK    Boron, Metallo-Boron Compounds and Boranes R.M. Adams,New York, NY.: Wiley,1964,706.
2.    

orl-rat LD50:2830 mg/kg

     USBCC*    U.S. Borax and Chemical Company Reports .(New York, NY.: )1958.
3.    

orl-mus LD50:3300 mg/kg

     14KTAK    Boron, Metallo-Boron Compounds and Boranes R.M. Adams,New York, NY.: Wiley,1964,693.

Safety Profile

Moderately toxic by ingestion. An eye irritant. Combustible when exposed to heat or flame. Can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition Tris(2-ethylhexyl) borate (CAS NO.2467-13-2) emits acrid smoke and irritating fumes. See also ESTERS and BORON COMPOUNDS.

Specification

 Tris(2-ethylhexyl) borate , its cas register number is 2467-13-2. It also can be called 2-Ethylhexyl borate, tri- ; 1-Hexanol, 2-ethyl-, borate (8CI) ; and Boric acid (H3BO3), tris(2-ethylhexyl) ester (9CI) .