Lactofen

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  • Identifiers

    CAS number
    77501-63-4

    Molecular formula
    C19H15ClF3NO7

    SMILES
    CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 51.74%
    Grape 31.43%
    Sweet 31.13%
    Floral 30.71%
    Musk 28.74%
    Milky 27.07%
    Powdery 26.8%
    Fruity 25.43%
    Fatty 24.69%
    Balsamic 22.94%

     

    Flavor
    Bitter 81.09%
    Odorless 48.52%
    Bland 33.28%
    Mild 24.39%
    Sweet-like 21.37%
    Very mild 21.12%
    Nitrile 18.63%
    Orange flower 18.61%
    Heather 18.58%
    Broom 18.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    5.26 (weak acid)

    Molecular weight
    461.8 g/mol

    Melting point expt.

    • 44-46 °C

    Flash point

    • 164.99 ˚C est.

    Solubility expt.

    • Solubility in isopropanol = 20%; soluble in acetone and xylene
    • In water, 0.1 mg/L at 25 °C

  • Synonyms

    • LACTOFEN
    • 77501-63-4
    • Cobra
    • Cobra herbicide
    • PPG 844
    • L44N8UV47O
    • DTXSID7024160
    • 1'-(Carboethoxy)ethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate
    • DTXCID404160
    • Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester
    • Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester
    • RefChem:152072
    • ethyl 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoyloxy)propanoate
    • Phoenix
    • 83513-60-4
    • 2-Ethoxy-1-methyl-2-oxoethyl 5-(2-chloro-4-trifluoromethylphenoxy)-2-nitrobenzoate
    • Lactofen (>85%)
    • (1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
    • MFCD01632761
    • 5-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoic acid 2-ethoxy-1-methyl-2-oxoethyl ester
    • Lactofen [ANSI]
    • C19H15ClF3NO7
    • CAS-77501-63-4
    • HSDB 6991
    • EPA Pesticide Chemical Code 128888
    • UNII-L44N8UV47O
    • Lactofen (>85per cent)
    • EC 616-466-9
    • PHOENIX (HERBICIDE)
    • (+-)-2-Ethoxy-1-methyl-2-oxoethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2 nitrobenzoate
    • SCHEMBL39523
    • COBRA HERBICIDE [HSDB]
    • CHEMBL1243178
    • SCHEMBL29462400
    • SCHEMBL30606811
    • MSK22239
    • Tox21_201300
    • Tox21_300868
    • AKOS015902825
    • FL24828
    • HY-W019880
    • (2-ethoxy-1-methyl-2-oxo-ethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
    • (2-Ethoxy-1-methyl-2-oxoethyl)-5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate
    • NCGC00164457-01
    • NCGC00164457-02
    • NCGC00164457-03
    • NCGC00164457-04
    • NCGC00254772-01
    • NCGC00258852-01
    • AC-12569
    • DB-056223
    • CS-0031686
    • Lactofen, PESTANAL(R), analytical standard
    • NS00002264
    • 501L634
    • Q6469021
    • 1'-(CARBOETHOXY)ETHYL 5-(2-CHLORO-4- (TRIFLUOROMETHYL)PHENOXY)-2-NITROBENZOATE
    • 1-(carboethoxy)ethyl 5-[2-chloro-4-(trifluoromethyl)-phenoxy]-2-nitrobenzoate
    • 1-(carboethoxy)ethyl 5-[2-chloro-4-(trifluoromethyl)-phenoxyl]-2-nitrobenzoate
    • 1-(carboethoxy)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
    • 1-Ethoxy-1-oxopropan-2-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
    • ethyl o-[5-(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoyl]-dl-lactate
    • 2-ETHOXY-1-METHYL-2-OXOETHYL 5-(2-CHLORO-4- (TRIFLUOROMETHYL)PHENOXY)-2 NITROBENZOATE, (+/-)-
    • BENZOIC ACID, 5-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-2- NITRO-, 2-ETHOXY-1-METHYL-2-OXOETHYL ESTER
    • 77501-63-4

  • Applications

    Lactofen (CAS 77501-63-4) is a diphenyl ether herbicide used primarily in agriculture for post-emergence weed control in soybean and peanut crops and some other legume crops. It acts as a protoporphyrinogen oxidase (PPO) inhibitor, causing injury and death to susceptible weeds after application. It is typically applied as sprayable formulations, often in tank mixes with other herbicides and adjuvants. Use is subject to local regulations and label-specified rates and crop-tolerance considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.91
    methanol 118.92
    isopropanol 52.85
    water 0.08
    ethyl acetate 112.07
    n-propanol 70.88
    acetone 340.01
    n-butanol 46.58
    acetonitrile 93.75
    DMF 711.66
    toluene 46.35
    isobutanol 40.74
    1,4-dioxane 312.3
    methyl acetate 190.38
    THF 558.0
    2-butanone 186.26
    n-pentanol 43.16
    sec-butanol 60.28
    n-hexane 2.03
    ethylene glycol 23.35
    NMP 483.7
    cyclohexane 2.7
    DMSO 684.8
    n-butyl acetate 52.61
    n-octanol 18.29
    chloroform 105.58
    n-propyl acetate 82.06
    acetic acid 172.61
    dichloromethane 158.27
    cyclohexanone 179.87
    propylene glycol 26.03
    isopropyl acetate 60.03
    DMAc 699.43
    2-ethoxyethanol 190.29
    isopentanol 34.42
    n-heptane 2.27
    ethyl formate 72.82
    1,2-dichloroethane 114.9
    n-hexanol 25.95
    2-methoxyethanol 282.88
    isobutyl acetate 29.28
    tetrachloromethane 7.17
    n-pentyl acetate 49.34
    transcutol 281.73
    n-heptanol 19.66
    ethylbenzene 25.24
    MIBK 54.51
    2-propoxyethanol 129.03
    tert-butanol 56.84
    MTBE 80.98
    2-butoxyethanol 69.8
    propionic acid 87.11
    o-xylene 34.3
    formic acid 96.71
    diethyl ether 103.94
    m-xylene 22.99
    p-xylene 25.75
    chlorobenzene 30.76
    dimethyl carbonate 146.32
    n-octane 1.49
    formamide 209.95
    cyclopentanone 326.44
    2-pentanone 117.32
    anisole 112.46
    cyclopentyl methyl ether 137.03
    gamma-butyrolactone 358.09
    1-methoxy-2-propanol 179.73
    pyridine 187.65
    3-pentanone 112.28
    furfural 254.42
    n-dodecane 1.51
    diethylene glycol 102.56
    diisopropyl ether 19.32
    tert-amyl alcohol 66.19
    acetylacetone 212.43
    n-hexadecane 1.76
    acetophenone 109.51
    methyl propionate 161.78
    isopentyl acetate 37.58
    trichloroethylene 214.43
    n-nonanol 20.16
    cyclohexanol 49.29
    benzyl alcohol 77.09
    2-ethylhexanol 16.96
    isooctanol 15.41
    dipropyl ether 49.83
    1,2-dichlorobenzene 32.46
    ethyl lactate 53.03
    propylene carbonate 104.68
    n-methylformamide 249.04
    2-pentanol 33.62
    n-pentane 2.34
    1-propoxy-2-propanol 79.25
    1-methoxy-2-propyl acetate 93.78
    2-(2-methoxypropoxy) propanol 93.85
    mesitylene 10.73
    ε-caprolactone 155.82
    p-cymene 12.4
    epichlorohydrin 390.65
    1,1,1-trichloroethane 55.84
    2-aminoethanol 46.94
    morpholine-4-carbaldehyde 503.24
    sulfolane 429.43
    2,2,4-trimethylpentane 1.77
    2-methyltetrahydrofuran 224.43
    n-hexyl acetate 54.84
    isooctane 0.68
    2-(2-butoxyethoxy)ethanol 114.58
    sec-butyl acetate 46.46
    tert-butyl acetate 72.87
    decalin 2.18
    glycerin 51.58
    diglyme 274.96
    acrylic acid 98.92
    isopropyl myristate 23.94
    n-butyric acid 69.12
    acetyl acetate 79.12
    di(2-ethylhexyl) phthalate 28.17
    ethyl propionate 78.94
    nitromethane 541.34
    1,2-diethoxyethane 112.48
    benzonitrile 53.64
    trioctyl phosphate 16.65
    1-bromopropane 49.97
    gamma-valerolactone 463.17
    n-decanol 16.08
    triethyl phosphate 31.53
    4-methyl-2-pentanol 16.47
    propionitrile 67.71
    vinylene carbonate 111.28
    1,1,2-trichlorotrifluoroethane 201.62
    DMS 86.41
    cumene 13.73
    2-octanol 15.57
    2-hexanone 89.19
    octyl acetate 35.63
    limonene 17.92
    1,2-dimethoxyethane 365.07
    ethyl orthosilicate 28.82
    tributyl phosphate 19.91
    diacetone alcohol 95.68
    N,N-dimethylaniline 68.21
    acrylonitrile 110.8
    aniline 62.74
    1,3-propanediol 68.23
    bromobenzene 30.01
    dibromomethane 76.43
    1,1,2,2-tetrachloroethane 139.66
    2-methyl-cyclohexyl acetate 45.18
    tetrabutyl urea 40.59
    diisobutyl methanol 10.98
    2-phenylethanol 51.44
    styrene 31.24
    dioctyl adipate 45.29
    dimethyl sulfate 242.72
    ethyl butyrate 51.78
    methyl lactate 103.04
    butyl lactate 39.96
    diethyl carbonate 38.56
    propanediol butyl ether 50.4
    triethyl orthoformate 43.74
    p-tert-butyltoluene 11.34
    methyl 4-tert-butylbenzoate 80.74
    morpholine 312.66
    tert-butylamine 23.49
    n-dodecanol 12.36
    dimethoxymethane 467.83
    ethylene carbonate 81.65
    cyrene 125.18
    2-ethoxyethyl acetate 110.05
    2-ethylhexyl acetate 30.32
    1,2,4-trichlorobenzene 49.87
    4-methylpyridine 158.18
    dibutyl ether 33.16
    2,6-dimethyl-4-heptanol 10.98
    DEF 197.88
    dimethyl isosorbide 163.73
    tetrachloroethylene 85.83
    eugenol 75.9
    triacetin 108.25
    span 80 62.83
    1,4-butanediol 35.79
    1,1-dichloroethane 68.16
    2-methyl-1-pentanol 35.79
    methyl formate 215.73
    2-methyl-1-butanol 41.73
    n-decane 2.59
    butyronitrile 44.9
    3,7-dimethyl-1-octanol 15.72
    1-chlorooctane 12.12
    1-chlorotetradecane 5.4
    n-nonane 2.15
    undecane 1.94
    tert-butylcyclohexane 1.69
    cyclooctane 1.07
    cyclopentanol 73.65
    tetrahydropyran 155.15
    tert-amyl methyl ether 76.89
    2,5,8-trioxanonane 203.16
    1-hexene 13.33
    2-isopropoxyethanol 106.81
    2,2,2-trifluoroethanol 75.32
    methyl butyrate 94.64

    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