Trichlorophenoxyacetic acid

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  • Identifiers

    Molecular formula
    C8H4Cl3O3-

    SMILES
    C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-]

  • Odor profile

    Odorless 52.75%
    Musk 27.67%
    Sweet 26.43%
    Powdery 23.71%
    Fatty 22.98%
    Dry 22.33%
    Vanilla 21.06%
    Milky 21.04%
    Phenolic 20.99%
    Burnt 20.61%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    254.5 g/mol

    Flash point est.
    175.49 ˚C

  • Synonyms

    • (2,4,5-trichlorophenoxy)acetate
    • 2-(2,4,5-trichlorophenoxy)acetate
    • Trichlorophenoxyacetic acid
    • Spontox
    • 2,4,5-trichlorophenoxyacetate
    • 2,4,5-T acid
    • 2,4,5-trichloro-phenoxyacetic acid
    • U 46
    • Super
    • Dacamine 4T
    • Esterone 245
    • Esteron 245 be
    • Weedone 2,4,5-T
    • estericide t-2 and t-245
    • 2,4,5-trichloro-phenoxyacetate
    • CHEBI:19331
    • Trichlorophenoxyacetic acid, 2,4,5-
    • Q27109167

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.64
    methanol 17.64
    isopropanol 9.71
    water 0.1
    ethyl acetate 58.33
    n-propanol 14.33
    acetone 85.65
    n-butanol 11.28
    acetonitrile 32.04
    DMF 180.19
    toluene 10.01
    isobutanol 9.86
    1,4-dioxane 129.77
    methyl acetate 82.97
    THF 250.52
    2-butanone 79.15
    n-pentanol 15.3
    sec-butanol 14.53
    n-hexane 1.44
    ethylene glycol 8.18
    NMP 207.95
    cyclohexane 1.78
    DMSO 98.86
    n-butyl acetate 61.46
    n-octanol 13.78
    chloroform 21.77
    n-propyl acetate 62.2
    acetic acid 19.59
    dichloromethane 39.64
    cyclohexanone 64.91
    propylene glycol 5.81
    isopropyl acetate 42.39
    DMAc 272.49
    2-ethoxyethanol 69.68
    isopentanol 11.75
    n-heptane 4.54
    ethyl formate 34.79
    1,2-dichloroethane 36.55
    n-hexanol 16.43
    2-methoxyethanol 78.21
    isobutyl acetate 35.08
    tetrachloromethane 1.05
    n-pentyl acetate 34.37
    transcutol 197.45
    n-heptanol 10.97
    ethylbenzene 14.87
    MIBK 33.71
    2-propoxyethanol 65.05
    tert-butanol 15.66
    MTBE 47.96
    2-butoxyethanol 35.77
    propionic acid 13.31
    o-xylene 14.67
    formic acid 15.16
    diethyl ether 43.77
    m-xylene 9.5
    p-xylene 20.24
    chlorobenzene 15.5
    dimethyl carbonate 49.02
    n-octane 2.12
    formamide 41.79
    cyclopentanone 117.34
    2-pentanone 47.2
    anisole 73.62
    cyclopentyl methyl ether 67.97
    gamma-butyrolactone 132.0
    1-methoxy-2-propanol 47.97
    pyridine 61.11
    3-pentanone 53.33
    furfural 121.71
    n-dodecane 2.14
    diethylene glycol 50.04
    diisopropyl ether 15.49
    tert-amyl alcohol 21.29
    acetylacetone 92.25
    n-hexadecane 2.51
    acetophenone 71.43
    methyl propionate 57.11
    isopentyl acetate 55.68
    trichloroethylene 59.86
    n-nonanol 14.8
    cyclohexanol 15.94
    benzyl alcohol 35.37
    2-ethylhexanol 19.45
    isooctanol 10.72
    dipropyl ether 46.98
    1,2-dichlorobenzene 19.06
    ethyl lactate 29.46
    propylene carbonate 60.13
    n-methylformamide 51.71
    2-pentanol 9.39
    n-pentane 1.22
    1-propoxy-2-propanol 50.1
    1-methoxy-2-propyl acetate 89.19
    2-(2-methoxypropoxy) propanol 75.09
    mesitylene 8.64
    ε-caprolactone 73.23
    p-cymene 20.38
    epichlorohydrin 154.6
    1,1,1-trichloroethane 16.53
    2-aminoethanol 11.66
    morpholine-4-carbaldehyde 215.67
    sulfolane 120.24
    2,2,4-trimethylpentane 1.83
    2-methyltetrahydrofuran 121.0
    n-hexyl acetate 38.18
    isooctane 0.92
    2-(2-butoxyethoxy)ethanol 71.66
    sec-butyl acetate 46.04
    tert-butyl acetate 56.11
    decalin 2.88
    glycerin 13.65
    diglyme 166.66
    acrylic acid 14.47
    isopropyl myristate 26.03
    n-butyric acid 15.78
    acetyl acetate 42.86
    di(2-ethylhexyl) phthalate 23.49
    ethyl propionate 58.65
    nitromethane 94.57
    1,2-diethoxyethane 106.83
    benzonitrile 32.16
    trioctyl phosphate 15.05
    1-bromopropane 16.68
    gamma-valerolactone 161.54
    n-decanol 12.93
    triethyl phosphate 38.74
    4-methyl-2-pentanol 8.06
    propionitrile 23.61
    vinylene carbonate 47.26
    1,1,2-trichlorotrifluoroethane 71.31
    DMS 63.01
    cumene 13.74
    2-octanol 9.9
    2-hexanone 63.16
    octyl acetate 28.55
    limonene 27.32
    1,2-dimethoxyethane 197.48
    ethyl orthosilicate 37.05
    tributyl phosphate 21.16
    diacetone alcohol 49.86
    N,N-dimethylaniline 59.03
    acrylonitrile 32.06
    aniline 22.58
    1,3-propanediol 16.2
    bromobenzene 13.84
    dibromomethane 18.97
    1,1,2,2-tetrachloroethane 44.71
    2-methyl-cyclohexyl acetate 53.99
    tetrabutyl urea 41.75
    diisobutyl methanol 13.58
    2-phenylethanol 35.59
    styrene 18.42
    dioctyl adipate 42.14
    dimethyl sulfate 79.54
    ethyl butyrate 61.35
    methyl lactate 33.4
    butyl lactate 25.85
    diethyl carbonate 45.3
    propanediol butyl ether 27.52
    triethyl orthoformate 53.82
    p-tert-butyltoluene 18.57
    methyl 4-tert-butylbenzoate 55.66
    morpholine 128.43
    tert-butylamine 8.91
    n-dodecanol 11.04
    dimethoxymethane 127.81
    ethylene carbonate 38.02
    cyrene 83.73
    2-ethoxyethyl acetate 66.63
    2-ethylhexyl acetate 50.69
    1,2,4-trichlorobenzene 29.4
    4-methylpyridine 59.1
    dibutyl ether 36.19
    2,6-dimethyl-4-heptanol 13.58
    DEF 90.92
    dimethyl isosorbide 163.58
    tetrachloroethylene 23.83
    eugenol 54.51
    triacetin 62.81
    span 80 37.96
    1,4-butanediol 10.06
    1,1-dichloroethane 19.64
    2-methyl-1-pentanol 16.84
    methyl formate 59.72
    2-methyl-1-butanol 12.75
    n-decane 3.1
    butyronitrile 19.47
    3,7-dimethyl-1-octanol 17.0
    1-chlorooctane 11.18
    1-chlorotetradecane 6.62
    n-nonane 2.73
    undecane 2.56
    tert-butylcyclohexane 2.7
    cyclooctane 1.11
    cyclopentanol 22.27
    tetrahydropyran 70.62
    tert-amyl methyl ether 52.91
    2,5,8-trioxanonane 133.35
    1-hexene 8.46
    2-isopropoxyethanol 52.27
    2,2,2-trifluoroethanol 13.98
    methyl butyrate 68.59

    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