(4-Chlorophenoxy)acetic acid

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  • Identifiers

    CAS number
    122-88-3

    Molecular formula
    C8H7ClO3

    SMILES
    C1=CC(=CC=C1OCC(=O)O)Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 45.67%
    Honey 42.37%
    Floral 38.44%
    Phenolic 34.48%
    Powdery 33.11%
    Animal 31.76%
    Vanilla 30.73%
    Balsamic 28.71%
    Creamy 28.26%
    Fatty 27.85%

     

    Flavor
    Sweet 62.67%
    Mild 41.61%
    Odorless 40.41%
    Sour 33.83%
    Powdery 30.88%
    Phenolic 30.54%
    Fruity 29.58%
    Creamy 29.14%
    Faint 28.0%
    Balsamic 27.77%

     

    Odor impact est.
    Low

    Odor threshold

    • Odorless

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.19 (neutral)

    Molecular weight
    186.59 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Melting point expt.

    • 156.5 °C

    Flash point

    • 160.56 ˚C est.

    Solubility expt.

    • In water, 957 mg/L at 25 °C

  • Synonyms

    • 4-CHLOROPHENOXYACETIC ACID
    • 122-88-3
    • (4-Chlorophenoxy)acetic acid
    • Sure-Set
    • Acetic acid, (4-chlorophenoxy)-
    • Tomato Fix
    • p-Chlorophenoxyacetic acid
    • Tomato hold
    • (p-Chlorophenoxy)acetic acid
    • 4CPA
    • Acetic acid, (p-chlorophenoxy)-
    • Parachlorophenoxyacetic acid
    • BI 12
    • NSC 8769
    • TOMATONE
    • 4EMM3U5P3K
    • DTXSID9034282
    • CHEBI:1808
    • DTXCID7014282
    • NSC-9213
    • RefChem:98595
    • 204-581-3
    • 4-Chlorophenoxyacetate
    • PCPA
    • 2-(4-chlorophenoxy)acetic acid
    • 4-CPA
    • Tomatotone
    • 4-CP
    • Marks 4-cpa
    • Acetic acid, 2-(4-chlorophenoxy)-
    • Kyselina 4-chlorfenoxyoctova
    • para-Chlorophenoxyacetic acid
    • MFCD00004305
    • 4-Chlorphenoxyessigsaeure
    • NSC-8769
    • 2-(4-Chloro-phenoxy)acetic acid
    • A1IHP
    • Caswell No. 204
    • CCRIS 1465
    • HSDB 3944
    • EINECS 204-581-3
    • Kyselina 4-chlorfenoxyoctova [Czech]
    • UNII-4EMM3U5P3K
    • EPA Pesticide Chemical Code 019401
    • BRN 1211804
    • 4-CPA [ISO]
    • AI3-30799
    • (4-chloro-phenoxy)-acetic acid
    • 4-chlorophenoxyactic acid
    • WLN: QV1OR DG
    • 4-chlorophenoxy acetic acid
    • Cambridge id 5511235
    • metformin chlorphenoxyacetate
    • CH-100 FREE ACID
    • SCHEMBL40485
    • 4-06-00-00845 (Beilstein Handbook Reference)
    • SCHEMBL324953
    • (4-chlorophenoxy)-acetic acid
    • (2-chlorophenoxy)ethanoic acid
    • CHEMBL178018
    • orb2941090
    • SCHEMBL11642577
    • SCHEMBL14855662
    • NSC8769
    • [(4-Chlorophenyl)oxy]acetic acid
    • MSK22683
    • Tox21_300744
    • 4-Chlorophenoxyacetic acid (4-CPA)
    • BBL007585
    • SBB004537
    • STK116608
    • AKOS000103793
    • AB00355
    • FC01864
    • NCGC00164254-01
    • NCGC00164254-02
    • NCGC00254650-01
    • 4-CHLOROPHENOXYACETIC ACID [HSDB]
    • AC-10963
    • AS-12913
    • CAS-122-88-3
    • HY-19698
    • DB-041694
    • 4-Chlorophenoxyacetic acid, >=98.0% (T)
    • CS-0016291
    • NS00015495
    • ST45161748
    • EN300-18120
    • A50588
    • C07088
    • AE-641/30397036
    • F358213
    • L000201
    • Q4637113
    • Z57181989
    • F0777-0788
    • 4-Chlorophenoxyacetic acid, PESTANAL(R), analytical standard
    • 4-Chlorophenoxyacetic acid, BioReagent, plant cell culture tested, crystalline
    • 122-88-3

  • Applications

    (4-Chlorophenoxy)acetic acid (CAS 122-88-3) is primarily used as an herbicidal active ingredient in auxin-like formulations for agriculture, and as a precursor for numerous phenoxyacetic acid derivatives. It also serves as a building block in the synthesis of phenoxyacetic compounds used in agrochemical manufacturing and related industrial applications, and may be used as a reference standard or starting material in the research and development of agrochemicals. In laboratory settings, it is often regarded as an intermediate in synthetic sequences leading to other phenoxyacetic acid derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 172.08
    methanol 209.95
    isopropanol 101.47
    water 4.24
    ethyl acetate 89.36
    n-propanol 120.4
    acetone 190.38
    n-butanol 89.78
    acetonitrile 56.74
    DMF 530.66
    toluene 5.75
    isobutanol 67.24
    1,4-dioxane 274.28
    methyl acetate 130.65
    THF 375.69
    2-butanone 151.51
    n-pentanol 100.64
    sec-butanol 95.14
    n-hexane 0.91
    ethylene glycol 81.0
    NMP 216.13
    cyclohexane 1.33
    DMSO 311.17
    n-butyl acetate 66.41
    n-octanol 39.75
    chloroform 6.56
    n-propyl acetate 76.63
    acetic acid 92.93
    dichloromethane 16.25
    cyclohexanone 86.01
    propylene glycol 64.06
    isopropyl acetate 56.58
    DMAc 608.04
    2-ethoxyethanol 328.88
    isopentanol 74.7
    n-heptane 4.64
    ethyl formate 60.76
    1,2-dichloroethane 20.76
    n-hexanol 51.48
    2-methoxyethanol 383.09
    isobutyl acetate 49.47
    tetrachloromethane 0.37
    n-pentyl acetate 42.18
    transcutol 435.26
    n-heptanol 33.27
    ethylbenzene 8.43
    MIBK 61.66
    2-propoxyethanol 153.92
    tert-butanol 164.48
    MTBE 113.86
    2-butoxyethanol 94.66
    propionic acid 51.89
    o-xylene 10.78
    formic acid 104.67
    diethyl ether 70.5
    m-xylene 8.93
    p-xylene 12.98
    chlorobenzene 7.21
    dimethyl carbonate 67.67
    n-octane 2.58
    formamide 209.27
    cyclopentanone 131.2
    2-pentanone 89.92
    anisole 70.72
    cyclopentyl methyl ether 71.84
    gamma-butyrolactone 157.14
    1-methoxy-2-propanol 213.6
    pyridine 53.79
    3-pentanone 64.87
    furfural 130.86
    n-dodecane 3.18
    diethylene glycol 170.71
    diisopropyl ether 20.43
    tert-amyl alcohol 128.01
    acetylacetone 109.55
    n-hexadecane 3.48
    acetophenone 67.72
    methyl propionate 86.47
    isopentyl acetate 64.5
    trichloroethylene 28.12
    n-nonanol 39.53
    cyclohexanol 46.31
    benzyl alcohol 61.94
    2-ethylhexanol 37.94
    isooctanol 30.66
    dipropyl ether 55.13
    1,2-dichlorobenzene 10.45
    ethyl lactate 55.42
    propylene carbonate 71.56
    n-methylformamide 192.27
    2-pentanol 54.52
    n-pentane 1.05
    1-propoxy-2-propanol 102.73
    1-methoxy-2-propyl acetate 98.18
    2-(2-methoxypropoxy) propanol 141.62
    mesitylene 8.63
    ε-caprolactone 91.79
    p-cymene 16.24
    epichlorohydrin 167.18
    1,1,1-trichloroethane 7.14
    2-aminoethanol 121.3
    morpholine-4-carbaldehyde 332.6
    sulfolane 145.91
    2,2,4-trimethylpentane 2.27
    2-methyltetrahydrofuran 158.51
    n-hexyl acetate 53.75
    isooctane 1.74
    2-(2-butoxyethoxy)ethanol 167.36
    sec-butyl acetate 55.52
    tert-butyl acetate 75.51
    decalin 2.49
    glycerin 112.3
    diglyme 296.21
    acrylic acid 48.82
    isopropyl myristate 34.64
    n-butyric acid 57.64
    acetyl acetate 48.87
    di(2-ethylhexyl) phthalate 35.21
    ethyl propionate 67.37
    nitromethane 187.02
    1,2-diethoxyethane 147.77
    benzonitrile 32.57
    trioctyl phosphate 25.95
    1-bromopropane 9.62
    gamma-valerolactone 209.25
    n-decanol 34.45
    triethyl phosphate 43.3
    4-methyl-2-pentanol 35.73
    propionitrile 50.18
    vinylene carbonate 58.57
    1,1,2-trichlorotrifluoroethane 97.56
    DMS 58.68
    cumene 10.76
    2-octanol 26.16
    2-hexanone 90.93
    octyl acetate 44.36
    limonene 23.88
    1,2-dimethoxyethane 423.3
    ethyl orthosilicate 41.25
    tributyl phosphate 31.36
    diacetone alcohol 123.83
    N,N-dimethylaniline 62.77
    acrylonitrile 56.91
    aniline 23.65
    1,3-propanediol 146.69
    bromobenzene 5.43
    dibromomethane 6.78
    1,1,2,2-tetrachloroethane 24.58
    2-methyl-cyclohexyl acetate 57.41
    tetrabutyl urea 61.35
    diisobutyl methanol 28.58
    2-phenylethanol 47.6
    styrene 9.42
    dioctyl adipate 59.02
    dimethyl sulfate 101.6
    ethyl butyrate 69.43
    methyl lactate 72.69
    butyl lactate 45.28
    diethyl carbonate 50.26
    propanediol butyl ether 92.94
    triethyl orthoformate 59.84
    p-tert-butyltoluene 16.48
    methyl 4-tert-butylbenzoate 75.04
    morpholine 313.27
    tert-butylamine 61.33
    n-dodecanol 29.33
    dimethoxymethane 284.34
    ethylene carbonate 50.25
    cyrene 123.05
    2-ethoxyethyl acetate 77.98
    2-ethylhexyl acetate 50.2
    1,2,4-trichlorobenzene 17.08
    4-methylpyridine 46.27
    dibutyl ether 52.11
    2,6-dimethyl-4-heptanol 28.58
    DEF 151.65
    dimethyl isosorbide 195.72
    tetrachloroethylene 9.72
    eugenol 80.17
    triacetin 80.42
    span 80 78.7
    1,4-butanediol 93.39
    1,1-dichloroethane 10.29
    2-methyl-1-pentanol 81.44
    methyl formate 132.92
    2-methyl-1-butanol 73.69
    n-decane 4.26
    butyronitrile 45.58
    3,7-dimethyl-1-octanol 40.78
    1-chlorooctane 15.28
    1-chlorotetradecane 9.43
    n-nonane 3.65
    undecane 3.66
    tert-butylcyclohexane 2.92
    cyclooctane 1.0
    cyclopentanol 66.97
    tetrahydropyran 113.15
    tert-amyl methyl ether 92.77
    2,5,8-trioxanonane 260.48
    1-hexene 7.29
    2-isopropoxyethanol 185.57
    2,2,2-trifluoroethanol 41.22
    methyl butyrate 88.45

    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