Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Hexafluoroacetone
RN: 684-16-2
UNII: AKU9463N1Y
InChIKey: VBZWSGALLODQNC-UHFFFAOYSA-N

Molecular Formula

  • C3-F6-O

Molecular Weight

  • 166.02
 

Classification Codes

Classification Code

  • Reproductive Effect

Superlist Classification Code

  • TWA (0.1 ppm); skin
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Hexafluoroacetone

Name of Substance

  • 1,1,1,3,3,3-Hexafluoro-2-propanone
  • Hexafluoroacetone

Synonyms

  • 1,1,1,3,3,3-Hexafluoro-2-propanone
  • 2-Propanone, 1,1,1,3,3,3-hexafluoro-
  • 6FK
  • Acetone, hexafluoro-
  • EINECS 211-676-3
  • GC 7887
  • Hexafluoroacetone
  • HSDB 2896
  • NCI-C56440
  • NSC 202438
  • Perfluoro-2-propanone
  • Perfluoroacetone
  • UNII-AKU9463N1Y

Systematic Names

  • 2-Propanone, 1,1,1,3,3,3-hexafluoro-
  • Hexafluoroacetone

Superlist Names

  • 2-Propanone, 1,1,1,3,3,3-hexafluoro-
  • Hexafluoroacetone
  • Hexafluoroacetone [UN2420] [Poison gas]
  • UN2420

Registry Numbers

CAS Registry Number

  • 684-16-2

FDA UNII

  • AKU9463N1Y

Related Registry Numbers

  • 10543-95-0 (monohydrate)
  • 13098-39-0 (sesquihydrate)
  • 32836-39-8 (dihydrate)
  • 34202-69-2 (trihydrate)

System Generated Number

  • 0000684162

Structure Descriptors

InChI

1S/C3F6O/c4-2(5,6)1(10)3(7,8)9

InChIKey

VBZWSGALLODQNC-UHFFFAOYSA-N

Smiles

C(C(C(F)(F)F)=O)(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 275ppm/3H (275ppm)   Toxicology and Applied Pharmacology. Vol. 6, Pg. 341, 1964.
rat LD50 oral 191mg/kg (191mg/kg)   Toxicology and Applied Pharmacology. Vol. 6, Pg. 341, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.25E+02 deg C   EXP
Boiling Point -2.74E+01 deg C   EXP
log P (octanol-water) 1.46 (none)   EXP
Water Solubility 3640 mg/L 25 EST
Vapor Pressure 2230 mm Hg 25 EXP
Henry's Law Constant 3.07E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 0.0 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.