1-(3,4-dimethoxyanilino)-2-nitrosoethenol

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  • Identifiers

    Molecular formula
    C10H12N2O4

    SMILES
    COC1=C(C=C(C=C1)NC(=CN=O)O)OC

  • Odor profile

    Odorless 41.92%
    Meaty 35.53%
    Savory 33.25%
    Roasted 29.48%
    Cooked 23.59%
    Milky 21.07%
    Sweet 21.01%
    Grape 20.08%
    Cooling 19.48%
    Fruity 18.98%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    224.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    393°C

    Flash point est.
    171.18 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.14
    methanol 6.0
    isopropanol 1.83
    water 0.21
    ethyl acetate 3.92
    n-propanol 2.09
    acetone 13.22
    n-butanol 1.87
    acetonitrile 6.14
    DMF 73.66
    toluene 0.35
    isobutanol 1.73
    1,4-dioxane 2.7
    methyl acetate 5.7
    THF 20.13
    2-butanone 8.74
    n-pentanol 2.14
    sec-butanol 1.76
    n-hexane 0.11
    ethylene glycol 4.65
    NMP 73.63
    cyclohexane 0.06
    DMSO 306.14
    n-butyl acetate 4.74
    n-octanol 1.51
    chloroform 6.24
    n-propyl acetate 4.0
    acetic acid 17.23
    dichloromethane 11.01
    cyclohexanone 12.98
    propylene glycol 3.82
    isopropyl acetate 2.74
    DMAc 116.06
    2-ethoxyethanol 13.2
    isopentanol 2.44
    n-heptane 0.15
    ethyl formate 5.67
    1,2-dichloroethane 7.72
    n-hexanol 2.38
    2-methoxyethanol 23.52
    isobutyl acetate 2.57
    tetrachloromethane 0.94
    n-pentyl acetate 2.29
    transcutol 27.87
    n-heptanol 1.54
    ethylbenzene 0.63
    MIBK 4.45
    2-propoxyethanol 14.65
    tert-butanol 4.14
    MTBE 1.84
    2-butoxyethanol 6.41
    propionic acid 6.39
    o-xylene 0.89
    formic acid 20.28
    diethyl ether 1.21
    m-xylene 0.74
    p-xylene 0.99
    chlorobenzene 1.62
    dimethyl carbonate 7.0
    n-octane 0.08
    formamide 31.24
    cyclopentanone 25.75
    2-pentanone 5.56
    anisole 3.49
    cyclopentyl methyl ether 4.3
    gamma-butyrolactone 32.37
    1-methoxy-2-propanol 14.51
    pyridine 4.23
    3-pentanone 4.92
    furfural 32.08
    n-dodecane 0.09
    diethylene glycol 20.49
    diisopropyl ether 0.51
    tert-amyl alcohol 3.47
    acetylacetone 10.98
    n-hexadecane 0.11
    acetophenone 7.85
    methyl propionate 7.37
    isopentyl acetate 5.22
    trichloroethylene 16.23
    n-nonanol 1.66
    cyclohexanol 2.0
    benzyl alcohol 4.49
    2-ethylhexanol 2.31
    isooctanol 1.55
    dipropyl ether 2.26
    1,2-dichlorobenzene 3.22
    ethyl lactate 7.74
    propylene carbonate 13.99
    n-methylformamide 21.2
    2-pentanol 1.23
    n-pentane 0.06
    1-propoxy-2-propanol 9.83
    1-methoxy-2-propyl acetate 10.29
    2-(2-methoxypropoxy) propanol 13.43
    mesitylene 0.65
    ε-caprolactone 11.77
    p-cymene 1.37
    epichlorohydrin 27.23
    1,1,1-trichloroethane 4.19
    2-aminoethanol 5.4
    morpholine-4-carbaldehyde 37.03
    sulfolane 92.27
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 6.39
    n-hexyl acetate 3.62
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 11.94
    sec-butyl acetate 2.51
    tert-butyl acetate 4.79
    decalin 0.15
    glycerin 14.79
    diglyme 23.67
    acrylic acid 9.67
    isopropyl myristate 1.87
    n-butyric acid 6.32
    acetyl acetate 4.04
    di(2-ethylhexyl) phthalate 3.6
    ethyl propionate 4.41
    nitromethane 43.16
    1,2-diethoxyethane 4.2
    benzonitrile 4.75
    trioctyl phosphate 2.48
    1-bromopropane 1.99
    gamma-valerolactone 31.13
    n-decanol 1.32
    triethyl phosphate 6.22
    4-methyl-2-pentanol 1.31
    propionitrile 4.21
    vinylene carbonate 12.47
    1,1,2-trichlorotrifluoroethane 40.59
    DMS 6.55
    cumene 0.91
    2-octanol 0.98
    2-hexanone 5.35
    octyl acetate 2.53
    limonene 1.81
    1,2-dimethoxyethane 19.9
    ethyl orthosilicate 4.78
    tributyl phosphate 3.61
    diacetone alcohol 12.66
    N,N-dimethylaniline 4.37
    acrylonitrile 8.27
    aniline 2.22
    1,3-propanediol 6.59
    bromobenzene 1.34
    dibromomethane 5.29
    1,1,2,2-tetrachloroethane 12.31
    2-methyl-cyclohexyl acetate 6.09
    tetrabutyl urea 6.0
    diisobutyl methanol 1.6
    2-phenylethanol 4.79
    styrene 0.62
    dioctyl adipate 4.69
    dimethyl sulfate 33.16
    ethyl butyrate 5.2
    methyl lactate 12.66
    butyl lactate 4.92
    diethyl carbonate 4.75
    propanediol butyl ether 7.08
    triethyl orthoformate 4.74
    p-tert-butyltoluene 1.28
    methyl 4-tert-butylbenzoate 8.87
    morpholine 6.09
    tert-butylamine 1.36
    n-dodecanol 1.03
    dimethoxymethane 16.93
    ethylene carbonate 7.72
    cyrene 20.07
    2-ethoxyethyl acetate 4.71
    2-ethylhexyl acetate 3.84
    1,2,4-trichlorobenzene 4.75
    4-methylpyridine 5.04
    dibutyl ether 1.57
    2,6-dimethyl-4-heptanol 1.6
    DEF 14.19
    dimethyl isosorbide 25.52
    tetrachloroethylene 7.06
    eugenol 9.52
    triacetin 7.57
    span 80 7.16
    1,4-butanediol 3.41
    1,1-dichloroethane 3.77
    2-methyl-1-pentanol 2.59
    methyl formate 16.93
    2-methyl-1-butanol 2.15
    n-decane 0.14
    butyronitrile 3.71
    3,7-dimethyl-1-octanol 1.99
    1-chlorooctane 0.79
    1-chlorotetradecane 0.38
    n-nonane 0.11
    undecane 0.11
    tert-butylcyclohexane 0.16
    cyclooctane 0.04
    cyclopentanol 3.26
    tetrahydropyran 1.97
    tert-amyl methyl ether 2.42
    2,5,8-trioxanonane 20.52
    1-hexene 0.5
    2-isopropoxyethanol 7.56
    2,2,2-trifluoroethanol 13.7
    methyl butyrate 6.97

    Scent© AI

1 3

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