2,4-D 2-Ethyl-4-methylpentyl ester

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  • Identifiers

    CAS number
    53404-37-8

    Molecular formula
    C16H22Cl2O3

    SMILES
    CCC(CC(C)C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl

  • Odor profile

    Fragrance
    Fruity 34.46%
    Odorless 30.47%
    Woody 27.82%
    Mint 26.91%
    Dry 26.49%
    Musk 26.16%
    Animal 25.36%
    Cooling 23.36%
    Spicy 22.57%
    Floral 22.36%

     

    Flavor
    Bitter 36.75%
    Mild 29.83%
    Bland 27.67%
    Herbal 27.47%
    Odorless 26.69%
    Fruity 20.52%
    Parsley 20.04%
    Woody 19.79%
    Green pepper 19.56%
    Cedarleaf 19.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    6.86 (neutral)

    Molecular weight
    333.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    374°C

    Flash point

    • 147.75 ˚C est.

  • Synonyms

    • 2,4-D 2-ethyl-4-methylpentyl ester
    • 53404-37-8
    • Caswell No. 315AT
    • 2,4-D 2 ethyl-4-methylpentyl ester
    • (2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetate
    • EPA Pesticide Chemical Code 030064
    • 6L8R243O1O
    • Acetic acid, (2,4-dichlorophenoxy)-, 2-ethyl-4-methylpentyl ester
    • 2-ETHYL-4-METHYLPENTYL (2,4-DICHLOROPHENOXY)ACETATE
    • Isooctyl(2-ethyl-4-methylpentyl) 2,4-dichlorophenoxyacetate
    • DTXSID2034679
    • 2,4-Dichlorophenoxyacetic acid isooctyl(2-ethyl-4-methylpentyl) ester
    • ACETIC ACID, 2-(2,4-DICHLOROPHENOXY)-, 2-ETHYL-4-METHYLPENTYL ESTER
    • UNII-6L8R243O1O
    • 2-Ethyl-4-methylpentyl 2,4-dichlorophenoxyacetate
    • DTXCID0014679
    • 2,4-d,2-Ethyl-4-methylpentyl ester.
    • NS00121482
    • Q27265094

  • Applications

    2,4-D 2-Ethyl-4-methylpentyl ester (CAS 53404-37-8) is the ester form of 2,4-D used primarily as an herbicidal active ingredient in crop protection products; common formulations such as emulsifiable concentrates (EC) and water-dispersible granules are designed to enhance uptake and systemic movement within the plant. Real-world applications include broadleaf weed control in agricultural crops, turf and landscape management, and forestry weed control; it is frequently formulated in combination with other herbicides as part of integrated weed management programs. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 503.75
    methanol 380.36
    isopropanol 309.79
    water 0.11
    ethyl acetate 1532.93
    n-propanol 401.35
    acetone 1993.58
    n-butanol 369.63
    acetonitrile 728.82
    DMF 1489.65
    toluene 665.49
    isobutanol 303.79
    1,4-dioxane 1102.45
    methyl acetate 1168.53
    THF 2319.52
    2-butanone 1389.55
    n-pentanol 295.23
    sec-butanol 364.31
    n-hexane 14.25
    ethylene glycol 56.14
    NMP 1366.59
    cyclohexane 45.8
    DMSO 1566.7
    n-butyl acetate 706.68
    n-octanol 115.76
    chloroform 3959.05
    n-propyl acetate 732.3
    acetic acid 873.79
    dichloromethane 4647.23
    cyclohexanone 1890.41
    propylene glycol 119.91
    isopropyl acetate 783.47
    DMAc 1484.27
    2-ethoxyethanol 675.49
    isopentanol 363.62
    n-heptane 14.23
    ethyl formate 597.51
    1,2-dichloroethane 2736.21
    n-hexanol 263.37
    2-methoxyethanol 924.95
    isobutyl acetate 414.03
    tetrachloromethane 362.44
    n-pentyl acetate 492.64
    transcutol 2108.27
    n-heptanol 132.51
    ethylbenzene 240.71
    MIBK 619.44
    2-propoxyethanol 617.83
    tert-butanol 432.57
    MTBE 657.99
    2-butoxyethanol 370.97
    propionic acid 478.34
    o-xylene 332.88
    formic acid 181.1
    diethyl ether 652.27
    m-xylene 388.14
    p-xylene 314.22
    chlorobenzene 978.27
    dimethyl carbonate 487.21
    n-octane 7.52
    formamide 456.38
    cyclopentanone 2131.39
    2-pentanone 1246.47
    anisole 594.97
    cyclopentyl methyl ether 1026.4
    gamma-butyrolactone 2001.0
    1-methoxy-2-propanol 708.0
    pyridine 1369.65
    3-pentanone 877.34
    furfural 1618.54
    n-dodecane 6.52
    diethylene glycol 427.72
    diisopropyl ether 164.99
    tert-amyl alcohol 445.41
    acetylacetone 1575.13
    n-hexadecane 8.08
    acetophenone 662.07
    methyl propionate 1065.54
    isopentyl acetate 612.66
    trichloroethylene 5597.08
    n-nonanol 105.94
    cyclohexanol 556.46
    benzyl alcohol 496.82
    2-ethylhexanol 180.89
    isooctanol 127.96
    dipropyl ether 231.5
    1,2-dichlorobenzene 861.83
    ethyl lactate 270.85
    propylene carbonate 1020.87
    n-methylformamide 676.77
    2-pentanol 289.12
    n-pentane 13.63
    1-propoxy-2-propanol 429.55
    1-methoxy-2-propyl acetate 759.92
    2-(2-methoxypropoxy) propanol 381.03
    mesitylene 188.76
    ε-caprolactone 1329.57
    p-cymene 138.55
    epichlorohydrin 3155.3
    1,1,1-trichloroethane 2158.75
    2-aminoethanol 163.34
    morpholine-4-carbaldehyde 1291.25
    sulfolane 1877.63
    2,2,4-trimethylpentane 22.2
    2-methyltetrahydrofuran 1613.21
    n-hexyl acetate 497.51
    isooctane 14.36
    2-(2-butoxyethoxy)ethanol 533.81
    sec-butyl acetate 502.2
    tert-butyl acetate 785.32
    decalin 30.68
    glycerin 163.18
    diglyme 1158.53
    acrylic acid 442.5
    isopropyl myristate 151.51
    n-butyric acid 783.07
    acetyl acetate 948.05
    di(2-ethylhexyl) phthalate 172.3
    ethyl propionate 605.09
    nitromethane 2103.0
    1,2-diethoxyethane 722.96
    benzonitrile 630.0
    trioctyl phosphate 113.29
    1-bromopropane 995.01
    gamma-valerolactone 2228.63
    n-decanol 74.67
    triethyl phosphate 213.42
    4-methyl-2-pentanol 169.67
    propionitrile 468.29
    vinylene carbonate 882.8
    1,1,2-trichlorotrifluoroethane 1569.71
    DMS 554.78
    cumene 138.96
    2-octanol 102.52
    2-hexanone 651.1
    octyl acetate 206.1
    limonene 216.91
    1,2-dimethoxyethane 987.45
    ethyl orthosilicate 202.89
    tributyl phosphate 155.65
    diacetone alcohol 775.5
    N,N-dimethylaniline 334.08
    acrylonitrile 689.82
    aniline 659.19
    1,3-propanediol 311.48
    bromobenzene 1123.59
    dibromomethane 2507.06
    1,1,2,2-tetrachloroethane 3758.06
    2-methyl-cyclohexyl acetate 367.28
    tetrabutyl urea 194.61
    diisobutyl methanol 114.14
    2-phenylethanol 407.04
    styrene 356.53
    dioctyl adipate 273.63
    dimethyl sulfate 797.9
    ethyl butyrate 479.03
    methyl lactate 372.69
    butyl lactate 310.34
    diethyl carbonate 317.49
    propanediol butyl ether 326.23
    triethyl orthoformate 285.54
    p-tert-butyltoluene 133.31
    methyl 4-tert-butylbenzoate 412.78
    morpholine 1432.15
    tert-butylamine 212.27
    n-dodecanol 56.18
    dimethoxymethane 1151.58
    ethylene carbonate 728.71
    cyrene 441.45
    2-ethoxyethyl acetate 749.17
    2-ethylhexyl acetate 473.26
    1,2,4-trichlorobenzene 1063.32
    4-methylpyridine 1453.69
    dibutyl ether 200.79
    2,6-dimethyl-4-heptanol 114.14
    DEF 1139.09
    dimethyl isosorbide 770.57
    tetrachloroethylene 1983.32
    eugenol 383.41
    triacetin 556.48
    span 80 303.84
    1,4-butanediol 149.83
    1,1-dichloroethane 2339.98
    2-methyl-1-pentanol 309.34
    methyl formate 652.74
    2-methyl-1-butanol 358.1
    n-decane 11.66
    butyronitrile 531.5
    3,7-dimethyl-1-octanol 148.59
    1-chlorooctane 107.88
    1-chlorotetradecane 35.81
    n-nonane 10.52
    undecane 8.24
    tert-butylcyclohexane 26.6
    cyclooctane 13.98
    cyclopentanol 566.83
    tetrahydropyran 1261.55
    tert-amyl methyl ether 528.63
    2,5,8-trioxanonane 673.8
    1-hexene 119.76
    2-isopropoxyethanol 473.02
    2,2,2-trifluoroethanol 370.81
    methyl butyrate 825.02

    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