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Substance Name: 2,4-Hexanediol, 4-methyl-6-phenyl-1,1,1-trifluoro-2-(trifluorometyl)-
RN: 101914-06-1
InChIKey: WJHDTFXGJFXIGK-UHFFFAOYSA-N

Molecular Formula

  • C14-H16-F6-O2

Molecular Weight

  • 330.266
 
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Names and Synonyms

Synonym

  • 4-Methyl-6-phenyl-1,1,1-trifluoro-2-trifluoromethyl-2,4-hexanediol

Systematic Name

  • 2,4-Hexanediol, 4-methyl-6-phenyl-1,1,1-trifluoro-2-(trifluorometyl)-

Registry Numbers

CAS Registry Number

  • 101914-06-1

System Generated Number

  • 0101914061

Structure Descriptors

InChI

1S/C14H16F6O2/c1-11(21,8-7-10-5-3-2-4-6-10)9-12(22,13(15,16)17)14(18,19)20/h2-6,21-22H,7-9H2,1H3

InChIKey

WJHDTFXGJFXIGK-UHFFFAOYSA-N

Smiles

C(C[C@@](CCc1ccccc1)(C)O)(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09094,