Hexafluoroacetone

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  • Identifiers

    CAS number
    684-16-2

    Molecular formula
    C3F6O

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

    Safety labels

    Compressed Gas
    Compressed Gas

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 57.6%
    Sweet 32.03%
    Cooling 21.7%
    Woody 20.42%
    Balsamic 18.63%
    Savory 18.13%
    Fishy 17.51%
    Clean 16.95%
    Dry 16.45%
    Bitter 15.84%

     

    Flavor
    Odorless 45.24%
    Bitter 30.45%
    Bland 23.21%
    Mild 20.3%
    Sweet-like 19.65%
    Nitrile 18.15%
    Scallion 17.86%
    Bouillon 17.83%
    Yeast 17.79%
    Rotten 17.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.8 (weak acid)

    Molecular weight
    166.02 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -188 °F (NIOSH, 2024)
    • -125.45 °C @ 101.3 kPa
    • -129 °C
    • -188 °F

    Boiling point

    • -18 °F at 760 mmHg (NIOSH, 2024)
    • -27 °C
    • -28 °C
    • -18 °F

    Flash point

    • -25.01 ˚C est.

    Solubility expt.

    • Reacts with water (NIOSH, 2024)
    • Solubility in water: reaction, releasing heat
    • Reacts

  • Synonyms

    • Hexafluoroacetone
    • 684-16-2
    • Perfluoroacetone
    • Perfluoro-2-propanone
    • Acetone, hexafluoro-
    • Hexafluoropropanone
    • 1,1,1,3,3,3-hexafluoropropan-2-one
    • 1,1,1,3,3,3-HEXAFLUORO-2-PROPANONE
    • NCI-C56440
    • Hexafluoro-2-propanone
    • 2-Propanone, 1,1,1,3,3,3-hexafluoro-
    • (CF3)2CO
    • NSC 202438
    • GC 7887
    • HSDB 2896
    • 1,1,1,3,3,3-Hexafluoroacetone
    • EINECS 211-676-3
    • UNII-AKU9463N1Y
    • UN2420
    • 6FK
    • 2-Propanone, hexafluoro-
    • 10057-27-9
    • NSC-202438
    • Hexafluoroacetone, anhydrous
    • HEXAFLUOROACETONE [MI]
    • AKU9463N1Y
    • DTXSID9043778
    • CHEBI:39429
    • UN 2420
    • 1,1,1,3,3,3-HEXAFLUORO-2-PROPANONE [HSDB]
    • MFCD00000422
    • hexafluor-oacetone
    • hexafluoro acetone
    • Perfluoro2propanone
    • trifluoromethyl ketone
    • WLN: FXFFVXFFF
    • Hexafluoroacetone, 97%
    • CF3COCF3
    • Hexafluoroacetone [UN2420] [Poison gas]
    • SCHEMBL344
    • Hexafluoroacetone (ACGIH)
    • CF3C(O)CF3
    • DTXCID7023778
    • BIS(TRIFLUOROMETHYL) KETONE
    • 1,1,1,3,3,3Hexafluoro2propanone
    • NSC202438
    • 1,1,1,3,3,3-Hexafluoroacetone #
    • 1,1,3,3,3-Hexafluoro-2-propanone
    • AKOS007930603
    • 2-Propanone,1,1,3,3,3-hexafluoro-
    • 2Propanone, 1,1,1,3,3,3hexafluoro
    • propanone, 1,1,1,3,3,3-hexafluoro-
    • 1,1,1,3,3,3-hexafluoro-propan-2-one
    • DB-000679
    • H0425
    • NS00042440
    • 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-one
    • A836139
    • Q416322
    • 2-Propanone,1,1,1,3,3,3-hexafluoro-,hydrate(2:3)
    • 211-676-3

  • Applications

    Hexafluoroacetone is primarily used as an organic synthesis intermediate to introduce the hexafluoroacetyl motif into target molecules. It serves as a building block for specialty fluorinated polymers and coatings, enabling incorporation of fluorinated ketone units into resins and films. It functions as a fluorinated acylating reagent or precursor in pharmaceutical and agrochemical synthesis, enabling access to fluorinated intermediates. In industrial manufacturing, it may be used as a reactive component in fluorination and acylation workflows under controlled conditions. In research and development, it is evaluated for preparing novel fluorinated materials and derivatives for electronics-related coatings and high-performance materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 248.33
    methanol 510.71
    isopropanol 213.83
    water 300.56
    ethyl acetate 67.78
    n-propanol 181.65
    acetone 165.15
    n-butanol 129.95
    acetonitrile 139.72
    DMF 727.83
    toluene 23.66
    isobutanol 137.73
    1,4-dioxane 129.01
    methyl acetate 93.21
    THF 303.71
    2-butanone 123.75
    n-pentanol 97.15
    sec-butanol 150.71
    n-hexane 31.11
    ethylene glycol 198.71
    NMP 482.01
    cyclohexane 28.08
    DMSO 851.8
    n-butyl acetate 39.16
    n-octanol 40.41
    chloroform 49.89
    n-propyl acetate 58.19
    acetic acid 104.26
    dichloromethane 62.0
    cyclohexanone 92.59
    propylene glycol 181.97
    isopropyl acetate 52.69
    DMAc 616.14
    2-ethoxyethanol 215.67
    isopentanol 100.08
    n-heptane 27.24
    ethyl formate 77.3
    1,2-dichloroethane 63.09
    n-hexanol 67.63
    2-methoxyethanol 346.8
    isobutyl acetate 32.3
    tetrachloromethane 20.19
    n-pentyl acetate 26.8
    transcutol 142.21
    n-heptanol 38.33
    ethylbenzene 19.97
    MIBK 71.15
    2-propoxyethanol 166.2
    tert-butanol 217.67
    MTBE 115.36
    2-butoxyethanol 78.08
    propionic acid 99.88
    o-xylene 34.04
    formic acid 172.9
    diethyl ether 143.84
    m-xylene 25.93
    p-xylene 22.33
    chlorobenzene 11.62
    dimethyl carbonate 89.16
    n-octane 11.31
    formamide 281.01
    cyclopentanone 140.87
    2-pentanone 100.75
    anisole 47.95
    cyclopentyl methyl ether 136.23
    gamma-butyrolactone 160.94
    1-methoxy-2-propanol 283.98
    pyridine 72.53
    3-pentanone 100.84
    furfural 103.51
    n-dodecane 7.42
    diethylene glycol 161.36
    diisopropyl ether 49.77
    tert-amyl alcohol 154.66
    acetylacetone 69.66
    n-hexadecane 7.45
    acetophenone 52.19
    methyl propionate 106.39
    isopentyl acetate 28.55
    trichloroethylene 45.38
    n-nonanol 38.84
    cyclohexanol 95.64
    benzyl alcohol 52.85
    2-ethylhexanol 36.23
    isooctanol 28.75
    dipropyl ether 83.76
    1,2-dichlorobenzene 12.08
    ethyl lactate 74.37
    propylene carbonate 70.37
    n-methylformamide 332.87
    2-pentanol 105.7
    n-pentane 47.76
    1-propoxy-2-propanol 115.51
    1-methoxy-2-propyl acetate 62.93
    2-(2-methoxypropoxy) propanol 78.22
    mesitylene 22.76
    ε-caprolactone 81.17
    p-cymene 19.88
    epichlorohydrin 127.27
    1,1,1-trichloroethane 31.25
    2-aminoethanol 239.67
    morpholine-4-carbaldehyde 275.33
    sulfolane 241.88
    2,2,4-trimethylpentane 17.22
    2-methyltetrahydrofuran 147.51
    n-hexyl acetate 33.9
    isooctane 13.41
    2-(2-butoxyethoxy)ethanol 85.49
    sec-butyl acetate 36.86
    tert-butyl acetate 53.35
    decalin 11.71
    glycerin 209.46
    diglyme 139.1
    acrylic acid 95.9
    isopropyl myristate 19.41
    n-butyric acid 76.05
    acetyl acetate 29.47
    di(2-ethylhexyl) phthalate 18.87
    ethyl propionate 64.65
    nitromethane 189.43
    1,2-diethoxyethane 57.65
    benzonitrile 31.53
    trioctyl phosphate 19.18
    1-bromopropane 58.29
    gamma-valerolactone 166.0
    n-decanol 31.25
    triethyl phosphate 34.8
    4-methyl-2-pentanol 64.69
    propionitrile 118.66
    vinylene carbonate 56.16
    1,1,2-trichlorotrifluoroethane 109.93
    DMS 33.91
    cumene 19.49
    2-octanol 28.99
    2-hexanone 70.04
    octyl acetate 25.23
    limonene 28.94
    1,2-dimethoxyethane 260.8
    ethyl orthosilicate 34.28
    tributyl phosphate 20.68
    diacetone alcohol 98.84
    N,N-dimethylaniline 75.37
    acrylonitrile 123.08
    aniline 50.52
    1,3-propanediol 169.75
    bromobenzene 8.29
    dibromomethane 52.78
    1,1,2,2-tetrachloroethane 56.85
    2-methyl-cyclohexyl acetate 31.92
    tetrabutyl urea 41.22
    diisobutyl methanol 33.01
    2-phenylethanol 39.24
    styrene 18.17
    dioctyl adipate 27.38
    dimethyl sulfate 139.0
    ethyl butyrate 48.13
    methyl lactate 122.53
    butyl lactate 40.05
    diethyl carbonate 33.97
    propanediol butyl ether 73.24
    triethyl orthoformate 42.77
    p-tert-butyltoluene 21.68
    methyl 4-tert-butylbenzoate 49.86
    morpholine 212.05
    tert-butylamine 178.57
    n-dodecanol 25.35
    dimethoxymethane 344.36
    ethylene carbonate 55.97
    cyrene 109.46
    2-ethoxyethyl acetate 33.88
    2-ethylhexyl acetate 23.24
    1,2,4-trichlorobenzene 15.64
    4-methylpyridine 71.97
    dibutyl ether 36.15
    2,6-dimethyl-4-heptanol 33.01
    DEF 198.81
    dimethyl isosorbide 112.6
    tetrachloroethylene 40.18
    eugenol 53.68
    triacetin 38.11
    span 80 54.85
    1,4-butanediol 107.26
    1,1-dichloroethane 48.0
    2-methyl-1-pentanol 65.32
    methyl formate 189.65
    2-methyl-1-butanol 104.86
    n-decane 11.46
    butyronitrile 88.74
    3,7-dimethyl-1-octanol 30.99
    1-chlorooctane 18.58
    1-chlorotetradecane 10.24
    n-nonane 11.7
    undecane 8.86
    tert-butylcyclohexane 12.12
    cyclooctane 15.43
    cyclopentanol 130.48
    tetrahydropyran 113.06
    tert-amyl methyl ether 111.5
    2,5,8-trioxanonane 115.87
    1-hexene 47.99
    2-isopropoxyethanol 132.85
    2,2,2-trifluoroethanol 98.27
    methyl butyrate 77.78

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction