Z-Dimethomorph

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  • Identifiers

    CAS number
    113210-98-3

    Molecular formula
    C21H22ClNO4

    SMILES
    COC1=C(C=C(C=C1)/C(=C\C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Floral 44.65%
    Sweet 37.49%
    Vanilla 30.95%
    Powdery 29.57%
    Fruity 28.76%
    Spicy 28.51%
    Neroli 28.06%
    Grape 26.65%
    Fresh 23.95%
    Balsamic 23.88%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    387.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    652°C

    Melting point expt.

    • 127-148 °C
    • MP: 125-149 °C

    Flash point est.
    209.14 ˚C

    Solubility expt.

    • In water (mg/L at 20 °C): 81.1 at pH 4; 49.2 at pH 7; 41.8 at pH 9
    • Solubility (g/L at 20 deg ): acetone 50; toluene 20; methanol 20; dichloromethane 500
    • Solubility in n-hexane 0.11; methanol 39; ethyl acetate 48.3; toluene 49.5; acetone 100; dichloromethane (all for E,Z, in g/L)
    • Solubility of z-isomer (g/L, 20-23 °C): acetone, 16.3; cyclohexanone, 27; dichloromethane, 315; dimethylformamide, 165; n-hexane, 0.036; methanol, 7.5; toluene, 10.5' ethyl acetate 8.4. Solublity of e-isomer: In acetone, 84.1; dimethylformamide, 272; n-hexane, 0.076; toluene 39.0; dichloromethane 296; ethyl acetate 39.9; methanol 31.5

  • Synonyms

    • Dimethomorph
    • Z-Dimethomorph
    • (Z)-Dimethomorph
    • Dimethomorph Z
    • 113210-98-3
    • Dimethomorph, (Z)-
    • 110488-70-5
    • UNII-37V7980RBV
    • 37V7980RBV
    • Dimethomorph [ISO]
    • (Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
    • 2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-, (2Z)-
    • Morpholine, 4-((2Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-
    • Morpholine, 4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-, (Z)-
    • HSDB 6915
    • EINECS Annex I Index 613-102-00-0
    • 4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl)morpholine
    • 3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholinoprop-2-en-1-one
    • EC 404-200-2
    • 3EXL2158GV
    • UNII-3EXL2158GV
    • 4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine
    • dimethomorph-1
    • MFCD01632781
    • Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-
    • DIMETHOMORF
    • (Z)-Dimethomorph 100 microg/mL in Acetonitrile
    • CHEBI:83427
    • (E)-3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one
    • DTXSID101017883
    • HY-B0846
    • AKOS016014939
    • AC-18035
    • CS-0012860
    • D95072
    • Q27156817
    • 4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl) acryloyl]morpholine
    • (2Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.66
    methanol 6.81
    isopropanol 7.83
    water 0.03
    ethyl acetate 32.69
    n-propanol 9.51
    acetone 36.24
    n-butanol 7.4
    acetonitrile 26.63
    DMF 42.87
    toluene 11.28
    isobutanol 7.14
    1,4-dioxane 41.18
    methyl acetate 34.31
    THF 71.0
    2-butanone 33.76
    n-pentanol 8.98
    sec-butanol 8.87
    n-hexane 0.43
    ethylene glycol 4.5
    NMP 33.85
    cyclohexane 1.61
    DMSO 65.22
    n-butyl acetate 12.69
    n-octanol 3.03
    chloroform 158.46
    n-propyl acetate 18.29
    acetic acid 48.32
    dichloromethane 178.01
    cyclohexanone 46.36
    propylene glycol 5.15
    isopropyl acetate 16.68
    DMAc 124.41
    2-ethoxyethanol 37.15
    isopentanol 7.26
    n-heptane 0.64
    ethyl formate 19.39
    1,2-dichloroethane 77.2
    n-hexanol 5.38
    2-methoxyethanol 33.65
    isobutyl acetate 11.2
    tetrachloromethane 9.96
    n-pentyl acetate 10.55
    transcutol 64.2
    n-heptanol 4.39
    ethylbenzene 5.73
    MIBK 12.63
    2-propoxyethanol 26.28
    tert-butanol 10.09
    MTBE 9.87
    2-butoxyethanol 17.64
    propionic acid 17.51
    o-xylene 7.32
    formic acid 17.56
    diethyl ether 15.52
    m-xylene 5.29
    p-xylene 7.63
    chlorobenzene 19.42
    dimethyl carbonate 23.83
    n-octane 0.36
    formamide 29.55
    cyclopentanone 50.61
    2-pentanone 21.5
    anisole 15.19
    cyclopentyl methyl ether 17.81
    gamma-butyrolactone 58.8
    1-methoxy-2-propanol 23.29
    pyridine 46.05
    3-pentanone 23.24
    furfural 58.22
    n-dodecane 0.37
    diethylene glycol 23.69
    diisopropyl ether 3.5
    tert-amyl alcohol 9.33
    acetylacetone 39.51
    n-hexadecane 0.44
    acetophenone 22.85
    methyl propionate 29.72
    isopentyl acetate 12.48
    trichloroethylene 162.21
    n-nonanol 3.95
    cyclohexanol 11.54
    benzyl alcohol 18.68
    2-ethylhexanol 4.6
    isooctanol 4.55
    dipropyl ether 8.75
    1,2-dichlorobenzene 21.58
    ethyl lactate 14.27
    propylene carbonate 29.22
    n-methylformamide 20.12
    2-pentanol 5.71
    n-pentane 0.44
    1-propoxy-2-propanol 17.0
    1-methoxy-2-propyl acetate 24.31
    2-(2-methoxypropoxy) propanol 22.38
    mesitylene 3.08
    ε-caprolactone 36.13
    p-cymene 4.28
    epichlorohydrin 89.82
    1,1,1-trichloroethane 48.12
    2-aminoethanol 7.46
    morpholine-4-carbaldehyde 53.31
    sulfolane 53.58
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 25.61
    n-hexyl acetate 9.65
    isooctane 0.24
    2-(2-butoxyethoxy)ethanol 25.06
    sec-butyl acetate 12.61
    tert-butyl acetate 14.41
    decalin 0.91
    glycerin 11.01
    diglyme 56.07
    acrylic acid 21.22
    isopropyl myristate 5.49
    n-butyric acid 20.08
    acetyl acetate 29.31
    di(2-ethylhexyl) phthalate 8.59
    ethyl propionate 18.31
    nitromethane 92.33
    1,2-diethoxyethane 24.11
    benzonitrile 19.37
    trioctyl phosphate 4.85
    1-bromopropane 21.18
    gamma-valerolactone 66.51
    n-decanol 3.16
    triethyl phosphate 13.18
    4-methyl-2-pentanol 3.81
    propionitrile 20.59
    vinylene carbonate 33.05
    1,1,2-trichlorotrifluoroethane 77.39
    DMS 19.28
    cumene 4.15
    2-octanol 2.93
    2-hexanone 17.42
    octyl acetate 6.64
    limonene 5.27
    1,2-dimethoxyethane 49.58
    ethyl orthosilicate 11.49
    tributyl phosphate 6.96
    diacetone alcohol 18.97
    N,N-dimethylaniline 11.76
    acrylonitrile 28.53
    aniline 16.89
    1,3-propanediol 11.5
    bromobenzene 19.51
    dibromomethane 82.42
    1,1,2,2-tetrachloroethane 101.75
    2-methyl-cyclohexyl acetate 14.31
    tetrabutyl urea 10.55
    diisobutyl methanol 3.82
    2-phenylethanol 14.17
    styrene 7.45
    dioctyl adipate 11.71
    dimethyl sulfate 36.84
    ethyl butyrate 15.04
    methyl lactate 18.39
    butyl lactate 11.43
    diethyl carbonate 14.54
    propanediol butyl ether 10.11
    triethyl orthoformate 14.45
    p-tert-butyltoluene 3.75
    methyl 4-tert-butylbenzoate 19.07
    morpholine 45.99
    tert-butylamine 4.69
    n-dodecanol 2.6
    dimethoxymethane 44.87
    ethylene carbonate 27.77
    cyrene 28.52
    2-ethoxyethyl acetate 24.85
    2-ethylhexyl acetate 10.29
    1,2,4-trichlorobenzene 28.49
    4-methylpyridine 29.38
    dibutyl ether 6.12
    2,6-dimethyl-4-heptanol 3.82
    DEF 31.39
    dimethyl isosorbide 40.12
    tetrachloroethylene 61.86
    eugenol 20.84
    triacetin 22.36
    span 80 13.86
    1,4-butanediol 7.68
    1,1-dichloroethane 50.75
    2-methyl-1-pentanol 9.01
    methyl formate 21.13
    2-methyl-1-butanol 7.29
    n-decane 0.58
    butyronitrile 15.01
    3,7-dimethyl-1-octanol 4.14
    1-chlorooctane 2.61
    1-chlorotetradecane 1.43
    n-nonane 0.46
    undecane 0.45
    tert-butylcyclohexane 0.66
    cyclooctane 0.49
    cyclopentanol 12.48
    tetrahydropyran 30.83
    tert-amyl methyl ether 9.31
    2,5,8-trioxanonane 43.03
    1-hexene 2.65
    2-isopropoxyethanol 24.42
    2,2,2-trifluoroethanol 27.84
    methyl butyrate 21.42

    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