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Substance Name: NSC 159991
RN: 34844-42-3
InChIKey: RWABFIHTJVNYGG-UHFFFAOYSA-N

Molecular Formula

  • C13-H20-F6-O2

Molecular Weight

  • 322.287
 
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Names and Synonyms

Results Name

  • NSC 159991

Synonyms

  • 2-((1-Hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl)-6-isopropyl-3-methyl cyclohexanol
  • BRN 1977324
  • NSC 159991
  • Thymol, 1,2,3,4,5,6-hexahydro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-

Systematic Name

  • Cyclohexanol, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-6-isopropyl-3-methyl-

Registry Numbers

CAS Registry Number

  • 34844-42-3

System Generated Number

  • 0034844423

Structure Descriptors

InChI

1S/C13H20F6O2/c1-6(2)8-5-4-7(3)9(10(8)20)11(21,12(14,15)16)13(17,18)19/h6-10,20-21H,4-5H2,1-3H3

InChIKey

RWABFIHTJVNYGG-UHFFFAOYSA-N

Smiles

C([C@@H]1[C@@H]([C@@H](C(C)C)CC[C@@H]1C)O)(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 24mg/kg (24mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08335,