Sodium Trichloroacetate

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  • Identifiers

    CAS number
    650-51-1

    Molecular formula
    C2Cl3NaO2

    SMILES
    C(=O)(C(Cl)(Cl)Cl)[O-].[Na+]

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 65.27%
    Sweet 37.33%
    Dry 18.3%
    Clean 17.28%
    Woody 16.95%
    Balsamic 16.6%
    Powdery 16.09%
    Bitter 15.99%
    Musk 15.76%
    Milky 15.31%

     

    Flavor
    Odorless 53.96%
    Mild 24.56%
    Bland 23.35%
    Bitter 22.27%
    Sweet-like 20.38%
    Yeast 19.14%
    Mousy 18.85%
    Nitrile 18.69%
    Scallion 18.38%
    Bread crust 18.36%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    -0.27 (strong acid)

    Molecular weight
    185.36 g/mol

    Melting point expt.

    • Decomposes at 165-200 °C

    Flash point

    • 53.59 ˚C est.

    Solubility expt.

    • In water = 1.2 kg/l at 25 °C
    • Soluble in ethanol
    • In methanol 232, acetone 7.6, diethyl ether 0.2, benzene 0.07, carbon tetrachloride 0.04, heptane 0.02 (all in g/l, at 25 °C)
    • Solubility in water, g/100ml at 25 °C: 120 (very good)

  • Synonyms

    • SODIUM TRICHLOROACETATE
    • 650-51-1
    • TCA-sodium
    • Varitox
    • Trichloroacetic acid sodium salt
    • Antiperz
    • Antyperz
    • TCA sodium
    • ACP grass killer
    • Sodium TCA
    • STCA
    • Sodium TCA inhibited
    • Weedmaster grass killer
    • Dow sodium TCA inhibited
    • Trichloroctan sodny
    • Sodium trichloroacetic acid
    • Natriumtrichloracetat
    • Allied Arcadian Sodium TCA
    • Natriumtrichlooracetaat
    • Acetic acid, trichloro-, sodium salt
    • Green cross couch grass killer
    • Sodio(tricloroacetato di)
    • Trichloressigsaures natrium
    • Sodium (trichloracetate de)
    • 2N76A3BRJ0
    • DTXSID6034924
    • ORISTAR TCA
    • Trichloroacetic acid, sodium salt
    • DTXCID4014924
    • Acetic acid, 2,2,2-trichloro-, sodium salt (1:1)
    • RefChem:887966
    • 211-479-2
    • TCA-sodium [ISO]
    • sodium;2,2,2-trichloroacetate
    • Trichloroacetic acid sodium
    • SODIUMTRICHLOROACETATE
    • C2Cl3NaO2
    • sodium 2,2,2-trichloroacetate
    • Caswell No. 797
    • Trichloroctan sodny [Czech]
    • SMR000875322
    • Natriumtrichloracetat [German]
    • Natriumtrichlooracetaat [Dutch]
    • HSDB 6737
    • Sodio(tricloroacetato di) [Italian]
    • Trichloressigsaures natrium [German]
    • EINECS 211-479-2
    • Sodium (trichloracetate de) [French]
    • EPA Pesticide Chemical Code 081001
    • UNII-2N76A3BRJ0
    • CCRIS 8529
    • NaTCA
    • MFCD00064198
    • TCA-SODIUM [HSDB]
    • EC 211-479-2
    • sodium trichloroacetate salt
    • SCHEMBL60578
    • MLS001335989
    • MLS001335990
    • CHEMBL2028283
    • CHEBI:81976
    • trichloro acetic acid sodium salt
    • AAA65051
    • Tox21_301313
    • MSK001254
    • AKOS025295594
    • NCGC00255551-01
    • CAS-650-51-1
    • DB-054756
    • NS00077224
    • TRICHLOROACETIC ACID SODIUM SALT [MI]
    • C18808
    • E75942
    • F546188
    • Q1856343
    • 650-51-1

  • Applications

    Sodium Trichloroacetate (CAS 650-51-1) is primarily used as an organic synthesis intermediate, providing the trichloroacetyl moiety for downstream transformations. In industrial manufacturing it is employed as a reagent to prepare chlorinated acyl derivatives and related specialty chemicals, including pharmaceutical and agrochemical intermediates. It can serve as a building block in specialty polymers and coatings where the trichloroacetyl group modulates reactivity or compatibility. In R&D and formulation work it is commonly evaluated as a reactive precursor for process development and for creating chlorinated reagents. Its use is governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 153.68
    methanol 215.38
    isopropanol 121.89
    water 25.77
    ethyl acetate 97.05
    n-propanol 116.8
    acetone 250.19
    n-butanol 105.99
    acetonitrile 122.88
    DMF 683.11
    toluene 53.12
    isobutanol 89.75
    1,4-dioxane 205.3
    methyl acetate 124.45
    THF 415.63
    2-butanone 166.11
    n-pentanol 88.75
    sec-butanol 115.75
    n-hexane 35.87
    ethylene glycol 86.2
    NMP 503.55
    cyclohexane 42.15
    DMSO 584.98
    n-butyl acetate 67.06
    n-octanol 65.54
    chloroform 88.27
    n-propyl acetate 87.33
    acetic acid 83.81
    dichloromethane 119.02
    cyclohexanone 149.12
    propylene glycol 60.11
    isopropyl acetate 77.89
    DMAc 577.9
    2-ethoxyethanol 202.42
    isopentanol 92.28
    n-heptane 37.54
    ethyl formate 92.49
    1,2-dichloroethane 107.69
    n-hexanol 74.44
    2-methoxyethanol 310.82
    isobutyl acetate 51.22
    tetrachloromethane 25.13
    n-pentyl acetate 57.08
    transcutol 232.94
    n-heptanol 49.37
    ethylbenzene 46.92
    MIBK 107.64
    2-propoxyethanol 158.91
    tert-butanol 158.26
    MTBE 153.58
    2-butoxyethanol 88.85
    propionic acid 60.95
    o-xylene 67.09
    formic acid 94.47
    diethyl ether 181.34
    m-xylene 55.3
    p-xylene 53.12
    chlorobenzene 34.54
    dimethyl carbonate 96.68
    n-octane 18.75
    formamide 174.18
    cyclopentanone 214.86
    2-pentanone 152.2
    anisole 113.38
    cyclopentyl methyl ether 195.3
    gamma-butyrolactone 187.91
    1-methoxy-2-propanol 230.28
    pyridine 118.46
    3-pentanone 133.96
    furfural 166.77
    n-dodecane 14.51
    diethylene glycol 152.22
    diisopropyl ether 72.35
    tert-amyl alcohol 144.71
    acetylacetone 149.38
    n-hexadecane 15.34
    acetophenone 108.15
    methyl propionate 123.49
    isopentyl acetate 58.59
    trichloroethylene 109.11
    n-nonanol 60.95
    cyclohexanol 105.43
    benzyl alcohol 81.89
    2-ethylhexanol 59.21
    isooctanol 42.67
    dipropyl ether 109.17
    1,2-dichlorobenzene 37.86
    ethyl lactate 66.63
    propylene carbonate 91.05
    n-methylformamide 211.78
    2-pentanol 101.99
    n-pentane 52.5
    1-propoxy-2-propanol 119.7
    1-methoxy-2-propyl acetate 95.21
    2-(2-methoxypropoxy) propanol 113.42
    mesitylene 47.78
    ε-caprolactone 117.27
    p-cymene 42.73
    epichlorohydrin 195.9
    1,1,1-trichloroethane 63.99
    2-aminoethanol 97.67
    morpholine-4-carbaldehyde 382.54
    sulfolane 275.92
    2,2,4-trimethylpentane 25.33
    2-methyltetrahydrofuran 224.08
    n-hexyl acetate 70.9
    isooctane 17.55
    2-(2-butoxyethoxy)ethanol 119.99
    sec-butyl acetate 62.12
    tert-butyl acetate 94.52
    decalin 21.97
    glycerin 101.92
    diglyme 230.95
    acrylic acid 60.45
    isopropyl myristate 49.03
    n-butyric acid 66.34
    acetyl acetate 55.86
    di(2-ethylhexyl) phthalate 40.0
    ethyl propionate 90.98
    nitromethane 215.78
    1,2-diethoxyethane 118.25
    benzonitrile 61.57
    trioctyl phosphate 34.93
    1-bromopropane 93.66
    gamma-valerolactone 229.06
    n-decanol 51.65
    triethyl phosphate 52.5
    4-methyl-2-pentanol 65.15
    propionitrile 90.64
    vinylene carbonate 73.71
    1,1,2-trichlorotrifluoroethane 129.92
    DMS 65.62
    cumene 41.27
    2-octanol 46.68
    2-hexanone 107.99
    octyl acetate 55.31
    limonene 62.44
    1,2-dimethoxyethane 362.15
    ethyl orthosilicate 54.11
    tributyl phosphate 38.35
    diacetone alcohol 133.68
    N,N-dimethylaniline 133.26
    acrylonitrile 100.97
    aniline 76.77
    1,3-propanediol 113.7
    bromobenzene 30.59
    dibromomethane 92.25
    1,1,2,2-tetrachloroethane 106.79
    2-methyl-cyclohexyl acetate 64.52
    tetrabutyl urea 76.6
    diisobutyl methanol 53.41
    2-phenylethanol 67.14
    styrene 50.16
    dioctyl adipate 61.98
    dimethyl sulfate 175.61
    ethyl butyrate 76.6
    methyl lactate 94.04
    butyl lactate 52.59
    diethyl carbonate 53.63
    propanediol butyl ether 77.82
    triethyl orthoformate 68.77
    p-tert-butyltoluene 45.4
    methyl 4-tert-butylbenzoate 95.02
    morpholine 256.83
    tert-butylamine 111.43
    n-dodecanol 44.09
    dimethoxymethane 384.26
    ethylene carbonate 65.15
    cyrene 132.97
    2-ethoxyethyl acetate 70.51
    2-ethylhexyl acetate 52.43
    1,2,4-trichlorobenzene 48.3
    4-methylpyridine 125.39
    dibutyl ether 75.3
    2,6-dimethyl-4-heptanol 53.41
    DEF 240.32
    dimethyl isosorbide 173.07
    tetrachloroethylene 73.36
    eugenol 92.25
    triacetin 77.32
    span 80 75.57
    1,4-butanediol 66.18
    1,1-dichloroethane 81.18
    2-methyl-1-pentanol 75.99
    methyl formate 175.83
    2-methyl-1-butanol 93.71
    n-decane 21.51
    butyronitrile 86.28
    3,7-dimethyl-1-octanol 61.48
    1-chlorooctane 44.31
    1-chlorotetradecane 25.45
    n-nonane 21.84
    undecane 17.26
    tert-butylcyclohexane 21.48
    cyclooctane 23.17
    cyclopentanol 127.75
    tetrahydropyran 169.49
    tert-amyl methyl ether 159.56
    2,5,8-trioxanonane 183.83
    1-hexene 69.77
    2-isopropoxyethanol 133.67
    2,2,2-trifluoroethanol 65.0
    methyl butyrate 111.5

    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