Emamectin

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  • Identifiers

    CAS number
    119791-41-2

    Molecular formula
    C49H75NO13

    SMILES
    CC[C@H](C)C1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@@H](O7)C)NC)OC)OC)\C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 39.84%
    Spicy 25.77%
    Roasted 25.54%
    Mint 21.44%
    Sweet 19.36%
    Nutty 19.04%
    Meaty 18.8%
    Vanilla 18.31%
    Savory 18.06%
    Woody 17.43%

     

    Flavor
    Bitter 58.9%
    Fatty 32.62%
    Cedarleaf 21.71%
    Sweet-like 21.24%
    Metallic 21.2%
    Cauliflower 20.11%
    Green tea 20.08%
    Alkaline 20.05%
    Leaves 19.8%
    Naphthalic 19.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.54 (neutral)

    Molecular weight
    886.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    527°C

    Melting point expt.

    • 141-146 °C /Emamectin benzoate/

    Flash point

    • 87.35 ˚C est.

    Solubility expt.

    • log Kow: 5.9 at pH 9; water solubility: 0.1 mg/L at pH 9
    • In water, 0.024 g/L at 25 °C (pH 7) /Emamectin benzoate/

  • Synonyms

    • Emamectin
    • 119791-41-2
    • GWN-1972
    • RefChem:590734
    • Avermectin B1, 4''-deoxy-4''-(methylamino)-, (4''R)-
    • (4''R)-4''-Deoxy-4''-(methylamino)avermectin B1
    • DTXSID3035052
    • CHEBI:39230
    • 4''-epiacetylamino-4''-deoxyavermectin B1, (4''R)-
    • 690-357-4
    • 4''-epi-methylamino-4''-deoxyavermectin B1
    • 8C43B81H4W
    • MK-243
    • CHEMBL3138875
    • SCHEMBL29354250
    • 119791-41-2

  • Applications

    Emamectin (CAS 119791-41-2) is a macrocyclic lactone insecticide used primarily in agriculture to protect crops such as vegetables, fruits, and cereals from chewing and sucking pests, typically formulated in crop-protection products for field or greenhouse application (including emulsifiable concentrates and water-dispersible granules). It is also used in aquaculture as a medicated feed additive to control parasitic sea lice in farmed fish, delivering systemic antiparasitic activity. The compound serves as the active ingredient in multiple crop-protection formulations and is considered within integrated pest management programs under regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 466.86
    methanol 442.41
    isopropanol 242.17
    water 0.42
    ethyl acetate 228.12
    n-propanol 602.91
    acetone 192.88
    n-butanol 358.05
    acetonitrile 92.57
    DMF 390.15
    toluene 70.61
    isobutanol 244.44
    1,4-dioxane 250.26
    methyl acetate 238.65
    THF 522.36
    2-butanone 329.39
    n-pentanol 169.89
    sec-butanol 232.52
    n-hexane 2.44
    ethylene glycol 80.94
    NMP 651.8
    cyclohexane 4.96
    DMSO 413.32
    n-butyl acetate 84.23
    n-octanol 32.51
    chloroform 434.57
    n-propyl acetate 96.39
    acetic acid 1148.76
    dichloromethane 371.5
    cyclohexanone 399.18
    propylene glycol 131.14
    isopropyl acetate 100.87
    DMAc 563.3
    2-ethoxyethanol 316.39
    isopentanol 129.95
    n-heptane 2.18
    ethyl formate 222.04
    1,2-dichloroethane 213.14
    n-hexanol 83.65
    2-methoxyethanol 538.4
    isobutyl acetate 48.09
    tetrachloromethane 60.94
    n-pentyl acetate 86.85
    transcutol 202.52
    n-heptanol 49.17
    ethylbenzene 19.02
    MIBK 71.1
    2-propoxyethanol 272.65
    tert-butanol 79.87
    MTBE 53.35
    2-butoxyethanol 171.12
    propionic acid 452.47
    o-xylene 29.56
    formic acid 500.84
    diethyl ether 131.71
    m-xylene 28.05
    p-xylene 20.16
    chlorobenzene 91.14
    dimethyl carbonate 136.19
    n-octane 0.93
    formamide 399.49
    cyclopentanone 464.13
    2-pentanone 218.21
    anisole 40.48
    cyclopentyl methyl ether 153.77
    gamma-butyrolactone 589.25
    1-methoxy-2-propanol 332.55
    pyridine 324.27
    3-pentanone 179.47
    furfural 358.21
    n-dodecane 0.82
    diethylene glycol 168.89
    diisopropyl ether 14.68
    tert-amyl alcohol 95.25
    acetylacetone 155.13
    n-hexadecane 0.95
    acetophenone 74.55
    methyl propionate 255.29
    isopentyl acetate 61.42
    trichloroethylene 466.49
    n-nonanol 33.41
    cyclohexanol 161.23
    benzyl alcohol 94.43
    2-ethylhexanol 28.51
    isooctanol 31.07
    dipropyl ether 34.7
    1,2-dichlorobenzene 73.17
    ethyl lactate 70.13
    propylene carbonate 243.67
    n-methylformamide 443.8
    2-pentanol 111.88
    n-pentane 4.65
    1-propoxy-2-propanol 128.3
    1-methoxy-2-propyl acetate 110.51
    2-(2-methoxypropoxy) propanol 80.02
    mesitylene 11.1
    ε-caprolactone 458.77
    p-cymene 10.46
    epichlorohydrin 599.07
    1,1,1-trichloroethane 137.78
    2-aminoethanol 249.52
    morpholine-4-carbaldehyde 456.12
    sulfolane 522.7
    2,2,4-trimethylpentane 2.2
    2-methyltetrahydrofuran 304.96
    n-hexyl acetate 85.19
    isooctane 0.98
    2-(2-butoxyethoxy)ethanol 115.98
    sec-butyl acetate 58.24
    tert-butyl acetate 60.82
    decalin 2.32
    glycerin 184.57
    diglyme 181.2
    acrylic acid 437.53
    isopropyl myristate 20.48
    n-butyric acid 539.69
    acetyl acetate 147.25
    di(2-ethylhexyl) phthalate 41.7
    ethyl propionate 90.33
    nitromethane 687.55
    1,2-diethoxyethane 59.2
    benzonitrile 72.31
    trioctyl phosphate 29.79
    1-bromopropane 143.2
    gamma-valerolactone 757.38
    n-decanol 19.56
    triethyl phosphate 34.43
    4-methyl-2-pentanol 32.1
    propionitrile 125.56
    vinylene carbonate 281.73
    1,1,2-trichlorotrifluoroethane 451.9
    DMS 73.06
    cumene 10.88
    2-octanol 22.14
    2-hexanone 98.16
    octyl acetate 37.57
    limonene 16.36
    1,2-dimethoxyethane 172.31
    ethyl orthosilicate 29.95
    tributyl phosphate 29.05
    diacetone alcohol 109.52
    N,N-dimethylaniline 27.64
    acrylonitrile 162.05
    aniline 127.96
    1,3-propanediol 380.86
    bromobenzene 79.89
    dibromomethane 252.61
    1,1,2,2-tetrachloroethane 295.45
    2-methyl-cyclohexyl acetate 47.34
    tetrabutyl urea 40.25
    diisobutyl methanol 11.13
    2-phenylethanol 70.62
    styrene 23.08
    dioctyl adipate 42.54
    dimethyl sulfate 192.04
    ethyl butyrate 61.59
    methyl lactate 172.24
    butyl lactate 71.55
    diethyl carbonate 37.22
    propanediol butyl ether 106.76
    triethyl orthoformate 41.41
    p-tert-butyltoluene 8.92
    methyl 4-tert-butylbenzoate 71.98
    morpholine 478.81
    tert-butylamine 26.59
    n-dodecanol 11.45
    dimethoxymethane 270.56
    ethylene carbonate 231.19
    cyrene 133.55
    2-ethoxyethyl acetate 138.63
    2-ethylhexyl acetate 48.0
    1,2,4-trichlorobenzene 101.74
    4-methylpyridine 223.66
    dibutyl ether 18.82
    2,6-dimethyl-4-heptanol 11.13
    DEF 270.77
    dimethyl isosorbide 111.33
    tetrachloroethylene 212.59
    eugenol 68.76
    triacetin 96.24
    span 80 84.1
    1,4-butanediol 125.71
    1,1-dichloroethane 178.18
    2-methyl-1-pentanol 92.27
    methyl formate 264.07
    2-methyl-1-butanol 190.29
    n-decane 1.75
    butyronitrile 114.49
    3,7-dimethyl-1-octanol 22.26
    1-chlorooctane 12.89
    1-chlorotetradecane 3.77
    n-nonane 1.32
    undecane 1.16
    tert-butylcyclohexane 1.64
    cyclooctane 1.57
    cyclopentanol 239.55
    tetrahydropyran 277.79
    tert-amyl methyl ether 56.98
    2,5,8-trioxanonane 100.21
    1-hexene 16.65
    2-isopropoxyethanol 151.65
    2,2,2-trifluoroethanol 342.68
    methyl butyrate 119.6

    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