(2E)-N-(2-Methoxy-2-(4-methoxyphenyl)ethyl)-3-phenyl-2-propenamide

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  • Identifiers

    CAS number
    70546-93-9

    Molecular formula
    C19H21NO3

    SMILES
    COC1=CC=C(C=C1)C(CNC(=O)/C=C/C2=CC=CC=C2)OC

    Safety labels

  • Odor profile

    Fragrance
    Savory 37.79%
    Meaty 35.41%
    Spicy 34.31%
    Fruity 33.6%
    Roasted 27.05%
    Cooked 26.81%
    Sweet 26.74%
    Grape 23.8%
    Bitter 23.12%
    Odorless 21.77%

     

    Flavor
    Bitter 45.47%
    Fruity 35.24%
    Odorless 24.56%
    Mild 22.54%
    Orange flower 19.86%
    Sweet 19.76%
    Petitgrain 19.54%
    Orange blossom 19.38%
    Heather 19.35%
    Ethyl benzoate 19.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.22 (neutral)

    Molecular weight
    311.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    553°C

    Melting point expt.

    • 135 °C

    Flash point

    • 208.97 ˚C est.

  • Synonyms

    • DTXSID801164027
    • 70546-93-9
    • (2E)-N-(2-Methoxy-2-(4-methoxyphenyl)ethyl)-3-phenyl-2-propenamide
    • (2E)-N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]-3-phenyl-2-propenamide
    • RefChem:1049796
    • DTXCID901595477
    • N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide
    • (2E)-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
    • NSC711466
    • Aegle marmelos Alkaloid D
    • NSC-711466
    • 70546-93-9

  • Applications

    Compound (2E)-N-(2-Methoxy-2-(4-methoxyphenyl)ethyl)-3-phenyl-2-propenamide (CAS 70546-93-9) is viewed as a useful building block in organic synthesis and medicinal chemistry, serving as a precursor for amide derivatives and enone-containing motifs. In cosmetics and perfumery, its methoxyphenyl features may make it a potential fragrance intermediate or formulation component under development. It may also be evaluated in pharmaceutical research as a starting point for the synthesis of drug-like amide compounds and as a scaffold for studying structure–activity relationships. Additionally, it can function as a research tool in medicinal and materials chemistry to support synthetic routes and the exploration of related frameworks, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.68
    methanol 25.09
    isopropanol 9.14
    water 0.21
    ethyl acetate 40.01
    n-propanol 17.88
    acetone 33.81
    n-butanol 12.93
    acetonitrile 24.13
    DMF 84.03
    toluene 15.89
    isobutanol 10.01
    1,4-dioxane 64.62
    methyl acetate 40.09
    THF 130.24
    2-butanone 43.67
    n-pentanol 12.46
    sec-butanol 12.52
    n-hexane 0.6
    ethylene glycol 9.57
    NMP 66.29
    cyclohexane 1.35
    DMSO 234.19
    n-butyl acetate 11.95
    n-octanol 2.66
    chloroform 223.92
    n-propyl acetate 15.94
    acetic acid 61.07
    dichloromethane 289.3
    cyclohexanone 54.67
    propylene glycol 14.97
    isopropyl acetate 19.23
    DMAc 220.27
    2-ethoxyethanol 52.78
    isopentanol 10.12
    n-heptane 0.7
    ethyl formate 19.35
    1,2-dichloroethane 161.62
    n-hexanol 7.31
    2-methoxyethanol 59.44
    isobutyl acetate 9.25
    tetrachloromethane 10.05
    n-pentyl acetate 6.13
    transcutol 148.83
    n-heptanol 4.03
    ethylbenzene 6.57
    MIBK 15.38
    2-propoxyethanol 32.74
    tert-butanol 13.5
    MTBE 15.24
    2-butoxyethanol 16.16
    propionic acid 29.03
    o-xylene 9.67
    formic acid 40.72
    diethyl ether 23.82
    m-xylene 6.97
    p-xylene 7.37
    chlorobenzene 28.01
    dimethyl carbonate 32.95
    n-octane 0.3
    formamide 94.07
    cyclopentanone 81.88
    2-pentanone 26.63
    anisole 24.22
    cyclopentyl methyl ether 33.99
    gamma-butyrolactone 94.13
    1-methoxy-2-propanol 40.52
    pyridine 69.83
    3-pentanone 36.05
    furfural 84.31
    n-dodecane 0.27
    diethylene glycol 32.46
    diisopropyl ether 4.46
    tert-amyl alcohol 14.15
    acetylacetone 47.6
    n-hexadecane 0.31
    acetophenone 27.52
    methyl propionate 44.69
    isopentyl acetate 12.72
    trichloroethylene 271.04
    n-nonanol 3.31
    cyclohexanol 14.9
    benzyl alcohol 22.56
    2-ethylhexanol 5.19
    isooctanol 3.74
    dipropyl ether 10.93
    1,2-dichlorobenzene 30.49
    ethyl lactate 15.21
    propylene carbonate 35.2
    n-methylformamide 44.0
    2-pentanol 8.03
    n-pentane 0.48
    1-propoxy-2-propanol 19.66
    1-methoxy-2-propyl acetate 30.25
    2-(2-methoxypropoxy) propanol 27.33
    mesitylene 3.93
    ε-caprolactone 41.79
    p-cymene 4.16
    epichlorohydrin 163.66
    1,1,1-trichloroethane 53.75
    2-aminoethanol 19.64
    morpholine-4-carbaldehyde 81.39
    sulfolane 123.03
    2,2,4-trimethylpentane 0.7
    2-methyltetrahydrofuran 44.37
    n-hexyl acetate 7.81
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 31.41
    sec-butyl acetate 12.36
    tert-butyl acetate 19.4
    decalin 1.07
    glycerin 30.41
    diglyme 82.54
    acrylic acid 35.51
    isopropyl myristate 4.37
    n-butyric acid 28.27
    acetyl acetate 30.63
    di(2-ethylhexyl) phthalate 7.04
    ethyl propionate 20.22
    nitromethane 135.36
    1,2-diethoxyethane 28.35
    benzonitrile 17.74
    trioctyl phosphate 3.77
    1-bromopropane 35.22
    gamma-valerolactone 89.73
    n-decanol 2.57
    triethyl phosphate 15.53
    4-methyl-2-pentanol 4.94
    propionitrile 21.59
    vinylene carbonate 38.04
    1,1,2-trichlorotrifluoroethane 119.36
    DMS 21.91
    cumene 4.4
    2-octanol 2.09
    2-hexanone 16.86
    octyl acetate 5.19
    limonene 6.03
    1,2-dimethoxyethane 72.26
    ethyl orthosilicate 14.02
    tributyl phosphate 5.93
    diacetone alcohol 25.49
    N,N-dimethylaniline 17.32
    acrylonitrile 32.52
    aniline 28.35
    1,3-propanediol 22.7
    bromobenzene 28.36
    dibromomethane 122.08
    1,1,2,2-tetrachloroethane 203.38
    2-methyl-cyclohexyl acetate 15.07
    tetrabutyl urea 8.71
    diisobutyl methanol 4.08
    2-phenylethanol 15.24
    styrene 9.27
    dioctyl adipate 10.87
    dimethyl sulfate 71.1
    ethyl butyrate 16.06
    methyl lactate 25.64
    butyl lactate 9.16
    diethyl carbonate 14.61
    propanediol butyl ether 11.66
    triethyl orthoformate 16.4
    p-tert-butyltoluene 3.78
    methyl 4-tert-butylbenzoate 19.39
    morpholine 79.28
    tert-butylamine 6.29
    n-dodecanol 2.07
    dimethoxymethane 69.56
    ethylene carbonate 28.45
    cyrene 34.81
    2-ethoxyethyl acetate 19.25
    2-ethylhexyl acetate 10.34
    1,2,4-trichlorobenzene 40.17
    4-methylpyridine 39.95
    dibutyl ether 5.91
    2,6-dimethyl-4-heptanol 4.08
    DEF 49.0
    dimethyl isosorbide 50.87
    tetrachloroethylene 109.12
    eugenol 19.84
    triacetin 22.6
    span 80 15.05
    1,4-butanediol 11.49
    1,1-dichloroethane 71.75
    2-methyl-1-pentanol 11.42
    methyl formate 32.68
    2-methyl-1-butanol 11.67
    n-decane 0.46
    butyronitrile 14.48
    3,7-dimethyl-1-octanol 3.71
    1-chlorooctane 2.3
    1-chlorotetradecane 1.05
    n-nonane 0.38
    undecane 0.34
    tert-butylcyclohexane 0.83
    cyclooctane 0.52
    cyclopentanol 16.98
    tetrahydropyran 48.27
    tert-amyl methyl ether 15.57
    2,5,8-trioxanonane 57.51
    1-hexene 3.33
    2-isopropoxyethanol 28.76
    2,2,2-trifluoroethanol 32.88
    methyl butyrate 21.76

    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