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Substance Name: 2(3H)-Furanone, dihydro-5,5-bis(trifluoromethyl)-3-hydroxy-4-pentyl-
RN: 101833-12-9
InChIKey: ZCDBTMTVDOKNEI-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-F6-O3

Molecular Weight

  • 308.217
 
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Names and Synonyms

Synonyms

  • 4,4-Bis(trifluoromethyl)-2,4-dihydroxy-3-pentylbutyric acid, gamma-lactone
  • Dihydro-5-bis(trifluoromethyl)-3-hydroxy-4-pentyl-2(3H)-furanone

Systematic Name

  • 2(3H)-Furanone, dihydro-5,5-bis(trifluoromethyl)-3-hydroxy-4-pentyl-

Registry Numbers

CAS Registry Number

  • 101833-12-9

System Generated Number

  • 0101833129

Structure Descriptors

InChI

1S/C11H14F6O3/c1-2-3-4-5-6-7(18)8(19)20-9(6,10(12,13)14)11(15,16)17/h6-7,18H,2-5H2,1H3

InChIKey

ZCDBTMTVDOKNEI-UHFFFAOYSA-N

Smiles

C1([C@@H]([C@@H](O)C(O1)=O)CCCCC)(C(F)(F)F)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08278,