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| Name |
Boric acid, tris(4-methyl-2-pentyl) ester |
EINECS | N/A |
| CAS No. | 5337-37-1 | Density | 0.851g/cm3 |
| PSA | 27.69000 | LogP | 5.32490 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H39BO3 | Boiling Point | 254.7°Cat760mmHg |
| Molecular Weight | 314.317 | Flash Point | 72.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. A severe eye irritant. See also ESTERS and BORON COMPOUNDS. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Pentanol,4-methyl-,triester with boric acid; |
Boric acid, tris(4-methyl-2-pentyl) ester Chemical Properties
IUPAC Name: tris(4-Methylpentan-2-yl) borate
Synonyms of Boric acid, tris(4-methyl-2-pentyl) ester (CAS NO.5337-37-1): Methylisobutylcarbinyl) borate, tri- ; 2-Pentanol, 4-methyl-, triester with boric acid ; Tri(methylisobutylcarbinyl)borate ; 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3) (8CI)(9CI) ; Boric acid, tris(4-methyl-2-pentyl) ester
InChI: InChI=1/C18H39BO3/c1-13(2)10-16(7)20-19(21-17(8)11-14(3)4)22-18(9)12-15(5)6/h13-18H,10-12H2,1-9H3
InChIKey: ARFPYOUWHGVCEE-UHFFFAOYAU
Std. InChI: InChI=1S/C18H39BO3/c1-13(2)10-16(7)20-19(21-17(8)11-14(3)4)22-18(9)12-15(5)6/h13-18H,10-12H2,1-9H3
Std. InChIKey: ARFPYOUWHGVCEE-UHFFFAOYSA-N
InChI: InChI=1/BBrI2/c2-1(3)4
InChIKey: XJRVKGBKUBECGR-UHFFFAOYAQ
Std. InChI: InChI=1S/BBrI2/c2-1(3)4
Std. InChIKey: XJRVKGBKUBECGR-UHFFFAOYSA-N
CAS NO: 5337-37-1
Molecular Formula: C18H39BO3
Molecular Weight: 314.3115
Molecular Structure : .png)
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 12
Polar Surface Area: 27.69 Å2
Index of Refraction: 1.422
Molar Refractivity: 93.85 cm3
Molar Volume: 368.9 cm3
Surface Tension: 25.4 dyne/cm
Density: 0.851 g/cm3
Flash Point: 72.2 °C
Enthalpy of Vaporization: 47.22 kJ/mol
Boiling Point: 254.7 °C at 760 mmHg
Vapour Pressure: 0.0272 mmHg at 25°C
Boric acid, tris(4-methyl-2-pentyl) ester Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1600mg/kg (1600mg/kg) | "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964Vol. -, Pg. 693, 1964. |
Boric acid, tris(4-methyl-2-pentyl) ester Safety Profile
Moderately toxic by ingestion. A severe eye irritant. See also ESTERS and BORON COMPOUNDS. When Boric acid, tris(4-methyl-2-pentyl) ester (CAS NO.5337-37-1) is heated to decomposition, it emits acrid smoke and irritating fumes.
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