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Substance Name: Boric acid (H3BO3), trihexyl ester
RN: 5337-36-0
InChIKey: KDQYHGMMZKMQAA-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

  • 4-01-00-01703 (Beilstein Handbook Reference)
  • AI3-60244
  • Boric acid, trihexyl ester
  • BRN 1708687
  • EINECS 226-262-8
  • Hexyl borate, (C6H13O)3 B
  • Hexyl borate, tri-
  • Hexyl orthoborate
  • NSC 781
  • Tri-n-hexyl borate
  • Trihexyl borate
  • Trihexyl orthoborate

Systematic Names

  • Boric acid (H3BO3), trihexyl ester
  • Boric acid, trihexyl ester
  • Trihexyl borate

Registry Numbers

CAS Registry Number

  • 5337-36-0

System Generated Number

  • 0005337360

Structure Descriptors

InChI

1S/C18H39BO3/c1-4-7-10-13-16-20-19(21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3

InChIKey

KDQYHGMMZKMQAA-UHFFFAOYSA-N

Smiles

B(OCCCCCC)(OCCCCCC)OCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2130mg/kg (2130mg/kg)   "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964Vol. -, Pg. 693, 1964.