2-(4-(2,4-Dichlorophenoxy)phenoxy)propionic acid

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  • Identifiers

    CAS number
    40843-25-2

    Molecular formula
    C15H12Cl2O4

    SMILES
    CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 37.82%
    Odorless 37.14%
    Sweet 32.92%
    Phenolic 32.82%
    Fruity 32.06%
    Powdery 30.47%
    Creamy 28.18%
    Milky 26.76%
    Floral 26.1%
    Balsamic 24.48%

     

    Flavor
    Bitter 61.46%
    Odorless 46.78%
    Mild 34.46%
    Bland 30.41%
    Very mild 22.55%
    Sweet-like 22.55%
    Orange flower 20.51%
    Fruity 20.27%
    Orange blossom 19.76%
    Ethyl benzoate 19.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    8.2 (weak base)

    Molecular weight
    327.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    398°C

    Flash point

    • 191.14 ˚C est.

  • Synonyms

    • 2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid
    • diclofop-acid
    • RefChem:133172
    • Diclofop
    • 40843-25-2
    • Diclofop acid
    • (+/-)-Diclofop
    • 2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid
    • Diclofop (free acid)
    • 2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid
    • 3LN56779KT
    • MFCD00152216
    • Propanoic acid, 2-(4-(2,4-dichlorophenoxy)phenoxy)-
    • DICHLORFOP ACID
    • Caswell No. 328B
    • Diclofop [ANSI:BSI:ISO]
    • HOE 21079
    • BRN 2338390
    • UNII-3LN56779KT
    • Methyl 2-(4-(2,4-Dichlorophenyoxy)phenoxy)propanoate
    • HOE-021079
    • (RS)-2-(4-(2,4-Dichlorophenoxy)phenoxy)propionic acid
    • DICLOFOP [ISO]
    • SCHEMBL66474
    • Diclofop (free acid) 100 microg/mL in Acetonitrile
    • orb1740203
    • orb3026133
    • CHEMBL2288781
    • DICLOFOP, (+/-)-
    • DTXSID5041859
    • SCHEMBL30583165
    • CHEBI:145406
    • MSK22082
    • HOE-21079
    • (+/-)-Diclofop, analytical standard
    • AKOS024354406
    • ( inverted exclamation markA)-Diclofop
    • NCGC00164481-01
    • DB-049669
    • NS00101083
    • ST50981058
    • C18716
    • H57992
    • 843D252
    • 2-[4'-(2,4-dichlorophenoxy)-phenoxy]-propionic acid
    • 2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid #
    • Q27155655
    • 2-[4'-(2",4"-dichlorophenoxy)-phenoxy]propionic acid
    • 4-(2',4'-dichlorophenoxy)-alpha-phenoxy-propionic acid
    • 2-(4-(2',4'-DICHLOROPHENOXY)PHENOXY)PROPIONIC ACID
    • 40843-25-2

  • Applications

    Chemical name: 2-(4-(2,4-Dichlorophenoxy)phenoxy)propionic acid; CAS number: 40843-25-2 may be used as an intermediate in the synthesis of phenoxypropionic acid herbicides for agricultural weed control, and can serve as a building block in formulation development for related agrochemical products. In agrochemical manufacturing it supports the preparation of herbicide derivatives and related formulations. In research and development it is used for structure–activity relationship studies and as an analytical reference material. In industrial manufacturing it supports scale-up and process development for specialty chemicals in the agrochemical sector.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 304.88
    methanol 275.64
    isopropanol 132.76
    water 0.42
    ethyl acetate 289.03
    n-propanol 192.9
    acetone 490.9
    n-butanol 141.8
    acetonitrile 245.5
    DMF 230.59
    toluene 24.78
    isobutanol 87.25
    1,4-dioxane 524.5
    methyl acetate 308.58
    THF 1352.4
    2-butanone 312.21
    n-pentanol 140.07
    sec-butanol 169.55
    n-hexane 4.26
    ethylene glycol 56.7
    NMP 99.93
    cyclohexane 7.52
    DMSO 436.16
    n-butyl acetate 130.19
    n-octanol 51.96
    chloroform 290.04
    n-propyl acetate 170.89
    acetic acid 173.31
    dichloromethane 419.77
    cyclohexanone 204.01
    propylene glycol 53.58
    isopropyl acetate 129.38
    DMAc 464.03
    2-ethoxyethanol 497.12
    isopentanol 90.07
    n-heptane 10.2
    ethyl formate 161.55
    1,2-dichloroethane 207.88
    n-hexanol 72.36
    2-methoxyethanol 514.35
    isobutyl acetate 74.17
    tetrachloromethane 10.06
    n-pentyl acetate 82.3
    transcutol 596.79
    n-heptanol 45.26
    ethylbenzene 32.49
    MIBK 90.92
    2-propoxyethanol 243.68
    tert-butanol 124.65
    MTBE 198.29
    2-butoxyethanol 122.02
    propionic acid 92.65
    o-xylene 23.39
    formic acid 97.1
    diethyl ether 241.35
    m-xylene 16.46
    p-xylene 38.35
    chlorobenzene 38.1
    dimethyl carbonate 118.47
    n-octane 6.73
    formamide 307.62
    cyclopentanone 287.67
    2-pentanone 198.45
    anisole 170.04
    cyclopentyl methyl ether 177.01
    gamma-butyrolactone 316.78
    1-methoxy-2-propanol 294.21
    pyridine 193.08
    3-pentanone 147.72
    furfural 212.13
    n-dodecane 6.26
    diethylene glycol 198.4
    diisopropyl ether 39.54
    tert-amyl alcohol 148.7
    acetylacetone 267.37
    n-hexadecane 6.99
    acetophenone 126.53
    methyl propionate 201.64
    isopentyl acetate 101.65
    trichloroethylene 328.84
    n-nonanol 51.68
    cyclohexanol 105.68
    benzyl alcohol 112.56
    2-ethylhexanol 51.7
    isooctanol 37.51
    dipropyl ether 127.41
    1,2-dichlorobenzene 41.81
    ethyl lactate 76.5
    propylene carbonate 119.88
    n-methylformamide 189.09
    2-pentanol 91.14
    n-pentane 3.08
    1-propoxy-2-propanol 148.66
    1-methoxy-2-propyl acetate 157.01
    2-(2-methoxypropoxy) propanol 142.09
    mesitylene 11.45
    ε-caprolactone 193.6
    p-cymene 24.58
    epichlorohydrin 541.06
    1,1,1-trichloroethane 92.01
    2-aminoethanol 100.58
    morpholine-4-carbaldehyde 308.47
    sulfolane 164.33
    2,2,4-trimethylpentane 4.15
    2-methyltetrahydrofuran 417.09
    n-hexyl acetate 90.57
    isooctane 2.03
    2-(2-butoxyethoxy)ethanol 186.36
    sec-butyl acetate 106.19
    tert-butyl acetate 125.35
    decalin 5.94
    glycerin 79.0
    diglyme 387.52
    acrylic acid 74.24
    isopropyl myristate 48.77
    n-butyric acid 117.98
    acetyl acetate 138.58
    di(2-ethylhexyl) phthalate 41.5
    ethyl propionate 143.43
    nitromethane 424.22
    1,2-diethoxyethane 288.92
    benzonitrile 79.79
    trioctyl phosphate 31.12
    1-bromopropane 99.08
    gamma-valerolactone 375.45
    n-decanol 43.03
    triethyl phosphate 61.09
    4-methyl-2-pentanol 39.68
    propionitrile 145.73
    vinylene carbonate 116.06
    1,1,2-trichlorotrifluoroethane 200.3
    DMS 112.06
    cumene 23.12
    2-octanol 41.53
    2-hexanone 170.41
    octyl acetate 60.82
    limonene 36.45
    1,2-dimethoxyethane 697.6
    ethyl orthosilicate 63.3
    tributyl phosphate 40.66
    diacetone alcohol 140.47
    N,N-dimethylaniline 91.23
    acrylonitrile 160.53
    aniline 52.89
    1,3-propanediol 174.79
    bromobenzene 36.03
    dibromomethane 195.27
    1,1,2,2-tetrachloroethane 218.64
    2-methyl-cyclohexyl acetate 80.91
    tetrabutyl urea 66.4
    diisobutyl methanol 33.42
    2-phenylethanol 82.65
    styrene 40.57
    dioctyl adipate 75.44
    dimethyl sulfate 119.69
    ethyl butyrate 136.64
    methyl lactate 91.15
    butyl lactate 67.78
    diethyl carbonate 96.82
    propanediol butyl ether 95.92
    triethyl orthoformate 104.28
    p-tert-butyltoluene 22.84
    methyl 4-tert-butylbenzoate 90.45
    morpholine 583.19
    tert-butylamine 55.47
    n-dodecanol 35.56
    dimethoxymethane 483.14
    ethylene carbonate 104.4
    cyrene 126.03
    2-ethoxyethyl acetate 157.26
    2-ethylhexyl acetate 79.43
    1,2,4-trichlorobenzene 53.52
    4-methylpyridine 114.65
    dibutyl ether 104.98
    2,6-dimethyl-4-heptanol 33.42
    DEF 228.71
    dimethyl isosorbide 210.66
    tetrachloroethylene 115.51
    eugenol 95.68
    triacetin 124.66
    span 80 84.52
    1,4-butanediol 101.77
    1,1-dichloroethane 153.39
    2-methyl-1-pentanol 104.31
    methyl formate 173.56
    2-methyl-1-butanol 102.41
    n-decane 10.1
    butyronitrile 136.66
    3,7-dimethyl-1-octanol 46.68
    1-chlorooctane 36.11
    1-chlorotetradecane 16.47
    n-nonane 9.02
    undecane 7.7
    tert-butylcyclohexane 4.86
    cyclooctane 2.85
    cyclopentanol 135.09
    tetrahydropyran 412.44
    tert-amyl methyl ether 163.93
    2,5,8-trioxanonane 286.47
    1-hexene 31.5
    2-isopropoxyethanol 258.34
    2,2,2-trifluoroethanol 66.52
    methyl butyrate 182.63

    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