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Substance Name: Boric acid, tris(1-methylheptyl) ester
RN: 24848-81-5
InChIKey: CNZRYPUWXCLTAW-UHFFFAOYSA-N

Classification Codes

  • Human Data
  • Skin / Eye Irritant

Molecular Formula

  • C24-H51-B-O3

Molecular Weight

  • 398.475
 
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Names and Synonyms

Synonyms

  • 2-Octanol, borate (6CI)
  • 4-01-00-01776 (Beilstein Handbook Reference)
  • Boric acid, tris(1-methylheptyl) ester
  • BRN 1727960
  • NSC 97596
  • Tri(2-octyl)borate
  • Tri-2-octyl borate

Systematic Names

  • 2-Octanol, triester with boric acid (H3BO3) (9CI)
  • Boric acid, tris(1-methylheptyl) ester

Registry Numbers

CAS Registry Number

  • 24848-81-5

System Generated Number

  • 0024848815

Structure Descriptors

InChI

1S/C24H51BO3/c1-7-10-13-16-19-22(4)26-25(27-23(5)20-17-14-11-8-2)28-24(6)21-18-15-12-9-3/h22-24H,7-21H2,1-6H3

InChIKey

CNZRYPUWXCLTAW-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
infant TDLo oral 174mg/kg (174mg/kg) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
American Journal of Emergency Medicine. Vol. 4, Pg. 358, 1986.
infant TDLo oral 542mg/kg (542mg/kg) BEHAVIORAL: IRRITABILITY

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
American Journal of Emergency Medicine. Vol. 4, Pg. 358, 1986.
mouse LD50 oral 3300mg/kg (3300mg/kg)   "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964Vol. -, Pg. 693, 1964.