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Substance Name: 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)- 4-acetate
RN: 101914-05-0
InChIKey: QXMGOCFRHFCKDH-UHFFFAOYSA-N

Molecular Formula

  • C11-H16-F6-O3

Molecular Weight

  • 310.232
 
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Names and Synonyms

Synonyms

  • 1,1,1-Trifluoro-5,5-dimethyl-2-trifluoromethyl-2,4-hexanediol 4-acetate ester
  • Acetic acid, 4-(5,5-dimethyl-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl)hexyl ester

Systematic Name

  • 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)- 4-acetate

Registry Numbers

CAS Registry Number

  • 101914-05-0

System Generated Number

  • 0101914050

Structure Descriptors

InChI

1S/C11H16F6O3/c1-6(18)20-7(8(2,3)4)5-9(19,10(12,13)14)11(15,16)17/h7,19H,5H2,1-4H3

InChIKey

QXMGOCFRHFCKDH-UHFFFAOYSA-N

Smiles

C(C[C@@H](OC(C)=O)C(C)(C)C)(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#09193,