Meptyldinocap

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  • Identifiers

    CAS number
    131-72-6

    Molecular formula
    C18H24N2O6

    SMILES
    CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)/C=C/C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 46.17%
    Sweet 39.24%
    Fatty 35.49%
    Odorless 32.84%
    Dry 29.1%
    Green 28.89%
    Fresh 28.37%
    Milky 27.29%
    Herbal 25.86%
    Balsamic 25.76%

     

    Flavor
    Bitter 54.38%
    Odorless 37.55%
    Bland 24.76%
    Herbal 23.2%
    Mild 22.36%
    Heather 19.91%
    Lovage 19.81%
    Broom 19.69%
    Genet 19.58%
    Cedarleaf 19.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    8.38 (weak base)

    Molecular weight
    364.4 g/mol

    Flash point

    • 179.99 ˚C est.

  • Synonyms

    • Meptyldinocap
    • 131-72-6
    • OQU8KLU91P
    • DTXSID90274056
    • 2-Butenoic acid, 2-(1-methylheptyl)-4,6-dinitrophenyl ester, (E)-
    • (E)-2-(1-Methylheptyl)-4,6-dinitrophenyl 2-butenoate
    • 2-(1-methylheptyl)-4,6-dinitrophenyl-(2E)-2-butanoate
    • RefChem:925494
    • DTXCID20521
    • CHEBI:83372
    • Meptyldinocap [ISO]
    • (2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate
    • MFCD00054268
    • 2,4-dinitro-6-(octan-2-yl)phenyl (2E)-but-2-enoate
    • (E)-2,4-Dinitro-6-(octan-2-yl)phenyl but-2-enoate
    • 2,4-DNOPC
    • 2-Butenoic acid, 2-(1-methylheptyl)-4,6-dinitrophenyl ester
    • EINECS 228-088-8
    • UNII-OQU8KLU91P
    • Dinitro(1-methylheptyl)phenyl crotonate, commercial grade (78%)
    • AI3-24727
    • Dinocap I
    • Meptyldinocap (Standard)
    • Meptyldinocap 100 microg/mL in Acetonitrile
    • SCHEMBL20451
    • (+/-)-MEPTYLDINOCAP
    • orb1299695
    • SCHEMBL29608839
    • CHEBI:83375
    • 2-(1-methylheptyl)-4,6-dinitrophenyl (2E)-but-2-enoate
    • MEPTYLDINOCAP, (+/-)-
    • MSK25083
    • HY-17522R
    • AKOS015888353
    • CS-3308
    • DA-65345
    • HY-17522
    • MS-25807
    • 2,4-Dinitro-6-(2-octyl)-phenyl crotonate
    • 2-Methylheptyl-4.6-dinitrophenyl crotonate
    • Dinocap, PESTANAL(R), analytical standard
    • NS00014296
    • Meptyldinocap, PESTANAL(R), analytical standard
    • 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate
    • Q19296230
    • [2-(1-methylheptyl)-4,6-dinitro-phenyl] (E)-but-2-enoate
    • CROTONIC ACID, 2-(1-METHYLHEPTYL)-4,6-DINITROPHENYL ESTER, (E)-
    • 2-BUTENOIC ACID, 2-(1-METHYLHEPTYL)-4,6-DINITROPHENYL ESTER, (2E)-
    • 131-72-6

  • Applications

    Meptyldinocap (CAS 131-72-6) is an agricultural active ingredient used as a fungicide to control fungal diseases on crops, notably in grapes, vegetables, and ornamentals; it is typically formulated in products for foliar spraying or seed and soil treatments to provide crop protection, with use regulated by local guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.66
    methanol 113.04
    isopropanol 48.97
    water 0.08
    ethyl acetate 306.48
    n-propanol 77.0
    acetone 465.63
    n-butanol 57.89
    acetonitrile 272.99
    DMF 1541.18
    toluene 148.01
    isobutanol 50.85
    1,4-dioxane 232.38
    methyl acetate 430.19
    THF 636.44
    2-butanone 413.96
    n-pentanol 52.54
    sec-butanol 63.49
    n-hexane 2.01
    ethylene glycol 31.04
    NMP 2537.23
    cyclohexane 2.79
    DMSO 820.37
    n-butyl acetate 136.94
    n-octanol 11.56
    chloroform 597.16
    n-propyl acetate 167.92
    acetic acid 323.86
    dichloromethane 834.59
    cyclohexanone 544.19
    propylene glycol 52.16
    isopropyl acetate 170.96
    DMAc 1695.62
    2-ethoxyethanol 180.04
    isopentanol 53.49
    n-heptane 1.07
    ethyl formate 130.68
    1,2-dichloroethane 600.76
    n-hexanol 37.46
    2-methoxyethanol 319.51
    isobutyl acetate 92.87
    tetrachloromethane 37.71
    n-pentyl acetate 86.85
    transcutol 552.42
    n-heptanol 18.19
    ethylbenzene 55.05
    MIBK 148.66
    2-propoxyethanol 190.57
    tert-butanol 61.32
    MTBE 82.14
    2-butoxyethanol 92.0
    propionic acid 218.75
    o-xylene 81.16
    formic acid 141.28
    diethyl ether 71.55
    m-xylene 84.39
    p-xylene 75.55
    chlorobenzene 266.45
    dimethyl carbonate 354.89
    n-octane 0.62
    formamide 372.0
    cyclopentanone 1034.66
    2-pentanone 252.97
    anisole 201.15
    cyclopentyl methyl ether 255.32
    gamma-butyrolactone 1335.21
    1-methoxy-2-propanol 266.09
    pyridine 552.38
    3-pentanone 262.35
    furfural 867.25
    n-dodecane 0.6
    diethylene glycol 150.43
    diisopropyl ether 21.37
    tert-amyl alcohol 73.68
    acetylacetone 561.88
    n-hexadecane 0.76
    acetophenone 318.87
    methyl propionate 463.04
    isopentyl acetate 130.39
    trichloroethylene 1520.28
    n-nonanol 13.48
    cyclohexanol 79.02
    benzyl alcohol 173.46
    2-ethylhexanol 26.25
    isooctanol 16.38
    dipropyl ether 33.21
    1,2-dichlorobenzene 277.19
    ethyl lactate 120.37
    propylene carbonate 514.24
    n-methylformamide 517.91
    2-pentanol 40.47
    n-pentane 1.7
    1-propoxy-2-propanol 121.95
    1-methoxy-2-propyl acetate 265.28
    2-(2-methoxypropoxy) propanol 159.56
    mesitylene 37.97
    ε-caprolactone 535.89
    p-cymene 27.99
    epichlorohydrin 1445.81
    1,1,1-trichloroethane 391.09
    2-aminoethanol 67.38
    morpholine-4-carbaldehyde 1111.7
    sulfolane 1732.81
    2,2,4-trimethylpentane 2.46
    2-methyltetrahydrofuran 352.03
    n-hexyl acetate 102.77
    isooctane 1.5
    2-(2-butoxyethoxy)ethanol 165.45
    sec-butyl acetate 119.27
    tert-butyl acetate 216.93
    decalin 4.54
    glycerin 109.61
    diglyme 326.03
    acrylic acid 301.2
    isopropyl myristate 35.48
    n-butyric acid 218.08
    acetyl acetate 260.38
    di(2-ethylhexyl) phthalate 69.16
    ethyl propionate 183.8
    nitromethane 1148.25
    1,2-diethoxyethane 121.88
    benzonitrile 212.67
    trioctyl phosphate 33.0
    1-bromopropane 139.57
    gamma-valerolactone 1206.65
    n-decanol 10.27
    triethyl phosphate 77.98
    4-methyl-2-pentanol 27.26
    propionitrile 160.08
    vinylene carbonate 464.19
    1,1,2-trichlorotrifluoroethane 722.69
    DMS 307.31
    cumene 33.78
    2-octanol 10.55
    2-hexanone 153.04
    octyl acetate 51.56
    limonene 39.41
    1,2-dimethoxyethane 253.35
    ethyl orthosilicate 60.58
    tributyl phosphate 53.23
    diacetone alcohol 276.51
    N,N-dimethylaniline 131.1
    acrylonitrile 368.41
    aniline 208.51
    1,3-propanediol 88.66
    bromobenzene 279.74
    dibromomethane 364.95
    1,1,2,2-tetrachloroethane 862.31
    2-methyl-cyclohexyl acetate 121.56
    tetrabutyl urea 74.71
    diisobutyl methanol 17.58
    2-phenylethanol 136.18
    styrene 84.11
    dioctyl adipate 88.65
    dimethyl sulfate 813.67
    ethyl butyrate 113.5
    methyl lactate 304.23
    butyl lactate 93.3
    diethyl carbonate 84.85
    propanediol butyl ether 82.27
    triethyl orthoformate 71.83
    p-tert-butyltoluene 27.26
    methyl 4-tert-butylbenzoate 189.13
    morpholine 394.97
    tert-butylamine 25.92
    n-dodecanol 7.69
    dimethoxymethane 506.05
    ethylene carbonate 309.75
    cyrene 272.85
    2-ethoxyethyl acetate 218.77
    2-ethylhexyl acetate 100.43
    1,2,4-trichlorobenzene 432.16
    4-methylpyridine 597.42
    dibutyl ether 22.36
    2,6-dimethyl-4-heptanol 17.58
    DEF 516.7
    dimethyl isosorbide 395.68
    tetrachloroethylene 423.12
    eugenol 167.78
    triacetin 231.91
    span 80 104.81
    1,4-butanediol 40.2
    1,1-dichloroethane 389.39
    2-methyl-1-pentanol 56.59
    methyl formate 362.75
    2-methyl-1-butanol 63.26
    n-decane 0.93
    butyronitrile 105.75
    3,7-dimethyl-1-octanol 19.76
    1-chlorooctane 9.3
    1-chlorotetradecane 4.31
    n-nonane 0.73
    undecane 0.73
    tert-butylcyclohexane 3.64
    cyclooctane 1.05
    cyclopentanol 130.3
    tetrahydropyran 167.56
    tert-amyl methyl ether 86.15
    2,5,8-trioxanonane 234.97
    1-hexene 16.0
    2-isopropoxyethanol 118.99
    2,2,2-trifluoroethanol 160.88
    methyl butyrate 230.96

    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