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Substance Name: Boric acid, tris(4-methyl-2-pentyl) ester
RN: 5337-37-1
InChIKey: ARFPYOUWHGVCEE-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C18-H39-B-O3

Molecular Weight

  • 314.314
 
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Names and Synonyms

Synonyms

  • (Methylisobutylcarbinyl) borate, tri-
  • 2-Pentanol, 4-methyl-, triester with boric acid
  • 4-01-00-01720 (Beilstein Handbook Reference)
  • Boric acid, tris(4-methyl-2-pentyl) ester
  • BRN 1725304
  • NSC 782
  • Tri(methylisobutylcarbinyl)borate

Systematic Names

  • 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3) (8CI)(9CI)
  • Boric acid, tris(4-methyl-2-pentyl) ester

Registry Numbers

CAS Registry Number

  • 5337-37-1

System Generated Number

  • 0005337371

Structure Descriptors

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

InChIKey

ARFPYOUWHGVCEE-UHFFFAOYSA-N

Smiles

B(O[C@@H](CC(C)C)C)(O[C@@H](CC(C)C)C)O[C@@H](CC(C)C)C

Toxicity

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.