Acequinocyl

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  • Identifiers

    CAS number
    57960-19-7

    Molecular formula
    C24H32O4

    SMILES
    CCCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2C1=O)OC(=O)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fatty 37.69%
    Waxy 37.66%
    Floral 37.44%
    Odorless 33.15%
    Balsamic 31.94%
    Sweet 31.8%
    Lactonic 29.79%
    Spicy 29.5%
    Milky 28.82%
    Herbal 28.69%

     

    Flavor
    Herbal 42.61%
    Woody 30.66%
    Bitter 29.95%
    Celery 23.43%
    Lovage 21.61%
    Warm 20.85%
    Bland 20.83%
    Outdoor 20.76%
    Parsley 20.02%
    Odorless 19.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    7.73 (neutral)

    Molecular weight
    384.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    489°C

    Melting point expt.

    • 59.6 °C

    Flash point

    • 210.11 ˚C est.

    Solubility expt.

    • In water, 6.69X10-3 mg/L at 20 °C
    • Solubility in n-hexane 44 g/L, toluene 450 g/L, dichloromethane 620 g/L, acetone 220 g/L, methanol 7.8 g/L, and dimethylformamide 190 g/L.

  • Synonyms

    • Acequinocyl
    • 57960-19-7
    • 2-(Acetyloxy)-3-dodecyl-1,4-naphthalenedione
    • (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate
    • 3-Dodecyl-2-hydroxy-1,4-naphthoquinone acetate
    • 1,4-Naphthalenedione, 2-(acetyloxy)-3-dodecyl-
    • AKD 2023
    • DPX 3792
    • MQN165D1MB
    • 3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate
    • 1,4-Naphthoquinone, 3-dodecyl-2-hydroxy-, acetate
    • DTXSID8034297
    • CHEBI:38592
    • 3-Dodecyl-1,4-dihydro-1,4-dioxo-2-naphthyl acetate
    • 3-dodecyl-1,4-dihydro-1,4-dioxo-2-naphthylacetate
    • RefChem:108765
    • DTXCID6014297
    • Acequinocyl [ISO]
    • HSDB 7265
    • INT-3792
    • UNII-MQN165D1MB
    • AI3-29615
    • Acequinocyl (Standard)
    • ACEQUINOCYL [MI]
    • ACEQUINOCYL [HSDB]
    • SCHEMBL28131
    • orb1702625
    • orb3025965
    • CHEMBL1869353
    • SCHEMBL29368518
    • MSK25039
    • MFCD01938252
    • AKOS040746499
    • MSK25039-1000A
    • 2-dodecyl-3-acetoxy-1,4-naphthoquinone
    • NCGC00164454-01
    • 3-acetoxy-2-n-dodecyl-1,4-naphthoquinone
    • (3-dodecyl-1,4-dioxo-2-naphthyl) acetate
    • HY-118896
    • CS-0077628
    • NS00002253
    • Acequinocyl, PESTANAL(R), analytical standard
    • C18535
    • Acequinocyl Solution in Acetonitrile, 1000ug/mL
    • Q15632895
    • 57960-19-7

  • Applications

    Acequinocyl is an acaricidal active ingredient used in agriculture to control mite pests on a range of crops. In practice it is applied to greenhouse and field crops such as ornamentals, fruit trees, and vegetables; formulations are used as foliar sprays or soil drenches with systemic or translaminar action to reach feeding mites; it is commonly included in integrated pest management programs and rotated with other miticides to manage resistance; it is also employed in nurseries and landscape maintenance for mite control on potted plants and planting stock.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 132.41
    methanol 166.42
    isopropanol 110.58
    water 0.95
    ethyl acetate 415.67
    n-propanol 188.8
    acetone 520.97
    n-butanol 149.26
    acetonitrile 304.09
    DMF 1150.22
    toluene 333.13
    isobutanol 145.07
    1,4-dioxane 369.01
    methyl acetate 446.62
    THF 801.84
    2-butanone 554.8
    n-pentanol 114.42
    sec-butanol 154.75
    n-hexane 7.24
    ethylene glycol 24.07
    NMP 1854.42
    cyclohexane 25.83
    DMSO 550.32
    n-butyl acetate 187.33
    n-octanol 32.32
    chloroform 1280.8
    n-propyl acetate 230.9
    acetic acid 316.29
    dichloromethane 1663.72
    cyclohexanone 978.81
    propylene glycol 43.1
    isopropyl acetate 251.86
    DMAc 1501.8
    2-ethoxyethanol 195.99
    isopentanol 137.06
    n-heptane 2.6
    ethyl formate 215.55
    1,2-dichloroethane 1282.76
    n-hexanol 65.61
    2-methoxyethanol 283.13
    isobutyl acetate 154.13
    tetrachloromethane 179.65
    n-pentyl acetate 211.79
    transcutol 386.84
    n-heptanol 48.66
    ethylbenzene 115.68
    MIBK 236.06
    2-propoxyethanol 176.65
    tert-butanol 118.18
    MTBE 144.01
    2-butoxyethanol 152.53
    propionic acid 297.74
    o-xylene 177.97
    formic acid 96.36
    diethyl ether 158.09
    m-xylene 148.18
    p-xylene 155.68
    chlorobenzene 547.43
    dimethyl carbonate 294.09
    n-octane 2.32
    formamide 252.69
    cyclopentanone 1236.53
    2-pentanone 394.28
    anisole 238.74
    cyclopentyl methyl ether 404.93
    gamma-butyrolactone 1285.28
    1-methoxy-2-propanol 228.87
    pyridine 979.26
    3-pentanone 404.1
    furfural 818.72
    n-dodecane 2.31
    diethylene glycol 104.98
    diisopropyl ether 42.95
    tert-amyl alcohol 135.83
    acetylacetone 550.76
    n-hexadecane 2.8
    acetophenone 327.34
    methyl propionate 470.65
    isopentyl acetate 191.39
    trichloroethylene 2206.52
    n-nonanol 36.07
    cyclohexanol 249.74
    benzyl alcohol 248.46
    2-ethylhexanol 48.58
    isooctanol 45.02
    dipropyl ether 53.59
    1,2-dichlorobenzene 484.39
    ethyl lactate 112.09
    propylene carbonate 584.45
    n-methylformamide 483.16
    2-pentanol 95.9
    n-pentane 6.85
    1-propoxy-2-propanol 118.8
    1-methoxy-2-propyl acetate 236.26
    2-(2-methoxypropoxy) propanol 121.67
    mesitylene 72.4
    ε-caprolactone 805.26
    p-cymene 42.85
    epichlorohydrin 1424.11
    1,1,1-trichloroethane 823.85
    2-aminoethanol 77.19
    morpholine-4-carbaldehyde 899.78
    sulfolane 1336.2
    2,2,4-trimethylpentane 7.89
    2-methyltetrahydrofuran 602.68
    n-hexyl acetate 178.08
    isooctane 3.74
    2-(2-butoxyethoxy)ethanol 153.2
    sec-butyl acetate 173.03
    tert-butyl acetate 244.83
    decalin 16.02
    glycerin 71.39
    diglyme 372.82
    acrylic acid 303.3
    isopropyl myristate 56.06
    n-butyric acid 363.44
    acetyl acetate 297.24
    di(2-ethylhexyl) phthalate 78.01
    ethyl propionate 228.4
    nitromethane 727.03
    1,2-diethoxyethane 169.31
    benzonitrile 335.81
    trioctyl phosphate 47.78
    1-bromopropane 430.33
    gamma-valerolactone 1260.08
    n-decanol 24.99
    triethyl phosphate 90.46
    4-methyl-2-pentanol 56.85
    propionitrile 290.97
    vinylene carbonate 522.99
    1,1,2-trichlorotrifluoroethane 686.68
    DMS 263.87
    cumene 62.79
    2-octanol 34.28
    2-hexanone 235.33
    octyl acetate 82.53
    limonene 62.94
    1,2-dimethoxyethane 333.0
    ethyl orthosilicate 81.31
    tributyl phosphate 65.81
    diacetone alcohol 256.29
    N,N-dimethylaniline 156.51
    acrylonitrile 428.93
    aniline 409.28
    1,3-propanediol 123.92
    bromobenzene 567.2
    dibromomethane 929.35
    1,1,2,2-tetrachloroethane 1621.44
    2-methyl-cyclohexyl acetate 138.6
    tetrabutyl urea 96.86
    diisobutyl methanol 29.62
    2-phenylethanol 155.97
    styrene 175.72
    dioctyl adipate 107.11
    dimethyl sulfate 521.27
    ethyl butyrate 144.81
    methyl lactate 196.04
    butyl lactate 144.26
    diethyl carbonate 106.25
    propanediol butyl ether 98.0
    triethyl orthoformate 98.02
    p-tert-butyltoluene 37.07
    methyl 4-tert-butylbenzoate 206.51
    morpholine 567.39
    tert-butylamine 64.4
    n-dodecanol 18.34
    dimethoxymethane 432.81
    ethylene carbonate 444.85
    cyrene 211.18
    2-ethoxyethyl acetate 311.51
    2-ethylhexyl acetate 152.58
    1,2,4-trichlorobenzene 645.94
    4-methylpyridine 887.28
    dibutyl ether 53.88
    2,6-dimethyl-4-heptanol 29.62
    DEF 631.34
    dimethyl isosorbide 293.17
    tetrachloroethylene 989.61
    eugenol 183.72
    triacetin 233.94
    span 80 103.14
    1,4-butanediol 57.41
    1,1-dichloroethane 862.73
    2-methyl-1-pentanol 124.59
    methyl formate 317.39
    2-methyl-1-butanol 164.9
    n-decane 3.96
    butyronitrile 236.43
    3,7-dimethyl-1-octanol 40.56
    1-chlorooctane 32.5
    1-chlorotetradecane 12.42
    n-nonane 3.15
    undecane 2.87
    tert-butylcyclohexane 9.85
    cyclooctane 5.39
    cyclopentanol 305.05
    tetrahydropyran 465.41
    tert-amyl methyl ether 139.03
    2,5,8-trioxanonane 212.44
    1-hexene 48.43
    2-isopropoxyethanol 147.68
    2,2,2-trifluoroethanol 193.85
    methyl butyrate 315.48

    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