Fluoroacetate

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  • Identifiers

    CAS number
    513-62-2

    Molecular formula
    C2H2FO2-

    SMILES
    C(C(=O)[O-])F

  • Odor profile

    Fragrance
    Odorless 73.7%
    Sweet 22.99%
    Buttery 22.68%
    Sour 21.01%
    Caramellic 20.79%
    Fatty 19.14%
    Savory 17.68%
    Milky 17.35%
    Creamy 16.47%
    Burnt 14.32%

     

    Flavor
    Odorless 60.49%
    Sour 26.52%
    Mild 24.77%
    Acidic 21.66%
    Mousy 21.17%
    Very mild 20.83%
    Yeast 20.38%
    Faint 19.98%
    Bland 19.92%
    Soy 19.64%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    2.6 (strong acid)

    Molecular weight
    77.03 g/mol

    Flash point

    • 34.46 ˚C est.

  • Synonyms

    • Fluoroacetate
    • 2-fluoroacetate
    • 513-62-2
    • FCH2CO2 anion
    • Acetic acid, fluoro-, ion(1-)
    • Alpha-fluoroacetic acid
    • Cymoric acid
    • fluoroacetic acid, ion(1-)
    • CHEBI:18172
    • DTXSID10199297
    • QEWYKACRFQMRMB-UHFFFAOYSA-M
    • NCGC00178188-01
    • Q27102870

  • Applications

    Fluoroacetate (CAS 513-62-2) is primarily used as a rodenticide for vertebrate pest control under regulated conditions, typically formulated as salts or esters to enhance uptake and efficacy. In biochemical and metabolic research, it serves as an enzyme inhibitor (notably of aconitase) to probe the citric acid cycle and related pathways. In organic synthesis, fluoroacetate can act as a precursor or building block for specialized fluorinated compounds, enabling the introduction of fluorinated acetate motifs. It also appears in analytical toxicology and environmental studies as a research reagent or reference compound under controlled laboratory conditions, with use governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 131.57
    methanol 337.13
    isopropanol 79.27
    water 398.39
    ethyl acetate 63.89
    n-propanol 76.34
    acetone 263.81
    n-butanol 51.84
    acetonitrile 306.43
    DMF 969.24
    toluene 16.72
    isobutanol 51.92
    1,4-dioxane 138.53
    methyl acetate 130.77
    THF 112.59
    2-butanone 115.77
    n-pentanol 40.04
    sec-butanol 51.88
    n-hexane 6.1
    ethylene glycol 142.52
    NMP 534.94
    cyclohexane 8.78
    DMSO 822.3
    n-butyl acetate 21.54
    n-octanol 21.05
    chloroform 37.58
    n-propyl acetate 44.68
    acetic acid 155.1
    dichloromethane 83.74
    cyclohexanone 85.46
    propylene glycol 65.98
    isopropyl acetate 31.09
    DMAc 748.64
    2-ethoxyethanol 160.61
    isopentanol 40.3
    n-heptane 6.05
    ethyl formate 96.2
    1,2-dichloroethane 83.73
    n-hexanol 17.84
    2-methoxyethanol 263.06
    isobutyl acetate 18.6
    tetrachloromethane 8.44
    n-pentyl acetate 15.76
    transcutol 212.49
    n-heptanol 11.61
    ethylbenzene 12.59
    MIBK 34.59
    2-propoxyethanol 63.36
    tert-butanol 89.77
    MTBE 54.03
    2-butoxyethanol 35.91
    propionic acid 82.08
    o-xylene 26.1
    formic acid 266.6
    diethyl ether 64.54
    m-xylene 15.83
    p-xylene 16.63
    chlorobenzene 17.78
    dimethyl carbonate 81.38
    n-octane 2.97
    formamide 450.65
    cyclopentanone 106.42
    2-pentanone 63.31
    anisole 54.73
    cyclopentyl methyl ether 49.91
    gamma-butyrolactone 147.45
    1-methoxy-2-propanol 127.24
    pyridine 87.04
    3-pentanone 72.02
    furfural 183.32
    n-dodecane 3.02
    diethylene glycol 102.15
    diisopropyl ether 15.92
    tert-amyl alcohol 63.73
    acetylacetone 85.52
    n-hexadecane 3.16
    acetophenone 61.55
    methyl propionate 89.35
    isopentyl acetate 16.29
    trichloroethylene 79.23
    n-nonanol 19.3
    cyclohexanol 37.08
    benzyl alcohol 46.45
    2-ethylhexanol 13.23
    isooctanol 9.98
    dipropyl ether 27.58
    1,2-dichlorobenzene 22.7
    ethyl lactate 41.37
    propylene carbonate 57.94
    n-methylformamide 420.61
    2-pentanol 30.62
    n-pentane 8.81
    1-propoxy-2-propanol 39.67
    1-methoxy-2-propyl acetate 32.9
    2-(2-methoxypropoxy) propanol 73.14
    mesitylene 13.05
    ε-caprolactone 70.93
    p-cymene 10.65
    epichlorohydrin 127.95
    1,1,1-trichloroethane 31.15
    2-aminoethanol 136.32
    morpholine-4-carbaldehyde 403.38
    sulfolane 201.53
    2,2,4-trimethylpentane 4.46
    2-methyltetrahydrofuran 68.81
    n-hexyl acetate 25.95
    isooctane 2.51
    2-(2-butoxyethoxy)ethanol 75.04
    sec-butyl acetate 21.65
    tert-butyl acetate 28.1
    decalin 4.65
    glycerin 124.61
    diglyme 164.79
    acrylic acid 103.84
    isopropyl myristate 13.77
    n-butyric acid 51.36
    acetyl acetate 42.59
    di(2-ethylhexyl) phthalate 17.68
    ethyl propionate 48.59
    nitromethane 489.84
    1,2-diethoxyethane 52.01
    benzonitrile 50.58
    trioctyl phosphate 12.03
    1-bromopropane 33.52
    gamma-valerolactone 189.36
    n-decanol 15.61
    triethyl phosphate 20.38
    4-methyl-2-pentanol 17.64
    propionitrile 118.16
    vinylene carbonate 69.71
    1,1,2-trichlorotrifluoroethane 106.42
    DMS 42.91
    cumene 12.01
    2-octanol 9.77
    2-hexanone 44.62
    octyl acetate 18.61
    limonene 15.15
    1,2-dimethoxyethane 262.77
    ethyl orthosilicate 17.88
    tributyl phosphate 15.9
    diacetone alcohol 53.12
    N,N-dimethylaniline 63.94
    acrylonitrile 175.81
    aniline 40.12
    1,3-propanediol 105.25
    bromobenzene 12.7
    dibromomethane 44.52
    1,1,2,2-tetrachloroethane 59.46
    2-methyl-cyclohexyl acetate 18.92
    tetrabutyl urea 36.37
    diisobutyl methanol 10.71
    2-phenylethanol 22.56
    styrene 16.26
    dioctyl adipate 26.44
    dimethyl sulfate 143.22
    ethyl butyrate 28.65
    methyl lactate 75.34
    butyl lactate 22.17
    diethyl carbonate 24.12
    propanediol butyl ether 46.52
    triethyl orthoformate 23.96
    p-tert-butyltoluene 9.96
    methyl 4-tert-butylbenzoate 43.05
    morpholine 164.23
    tert-butylamine 53.16
    n-dodecanol 13.05
    dimethoxymethane 240.04
    ethylene carbonate 55.32
    cyrene 77.93
    2-ethoxyethyl acetate 29.85
    2-ethylhexyl acetate 13.2
    1,2,4-trichlorobenzene 27.23
    4-methylpyridine 84.48
    dibutyl ether 23.02
    2,6-dimethyl-4-heptanol 10.71
    DEF 168.53
    dimethyl isosorbide 82.9
    tetrachloroethylene 42.33
    eugenol 47.26
    triacetin 49.51
    span 80 39.07
    1,4-butanediol 64.64
    1,1-dichloroethane 45.29
    2-methyl-1-pentanol 31.05
    methyl formate 294.23
    2-methyl-1-butanol 41.5
    n-decane 4.28
    butyronitrile 70.56
    3,7-dimethyl-1-octanol 19.23
    1-chlorooctane 11.03
    1-chlorotetradecane 6.21
    n-nonane 4.12
    undecane 3.52
    tert-butylcyclohexane 3.92
    cyclooctane 4.1
    cyclopentanol 47.08
    tetrahydropyran 61.78
    tert-amyl methyl ether 46.58
    2,5,8-trioxanonane 136.64
    1-hexene 14.52
    2-isopropoxyethanol 78.25
    2,2,2-trifluoroethanol 127.17
    methyl butyrate 65.16

    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