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Substance Name: Phosphoric acid, bis(3,5,5-trimethylhexyl) ester
RN: 7153-98-2
InChIKey: LPOAIFBVIQAMFA-UHFFFAOYSA-N

Molecular Formula

  • C18-H39-O4-P

Molecular Weight

  • 350.476
 
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Names and Synonyms

Synonyms

  • Bis(3,5,5-trimethylhexyl) phosphate
  • EINECS 230-501-1
  • NSC 58150
  • Phosphoric acid, bis(3,5,5-trimethylhexyl) ester

Systematic Names

  • 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate (8CI)
  • Bis(3,5,5-trimethylhexyl) hydrogen phosphate
  • Phosphoric acid, bis(3,5,5-trimethylhexyl) ester

Registry Numbers

CAS Registry Number

  • 7153-98-2

System Generated Number

  • 0007153982

Structure Descriptors

InChI

1S/C18H39O4P/c1-15(13-17(3,4)5)9-11-21-23(19,20)22-12-10-16(2)14-18(6,7)8/h15-16H,9-14H2,1-8H3,(H,19,20)

InChIKey

LPOAIFBVIQAMFA-UHFFFAOYSA-N

Smiles

P(=O)(OCC[C@@H](CC(C)(C)C)C)(OCC[C@@H](CC(C)(C)C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 125mg/kg (125mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 9, Pg. 133, 1957.