2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N,N-diphenyl-, (2E)-

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  • Identifiers

    CAS number
    1309389-73-8

    Molecular formula
    C22H17NO3

    SMILES
    C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

  • Odor profile

    Fragrance
    Fruity 61.13%
    Floral 49.24%
    Balsamic 34.28%
    Spicy 33.28%
    Grape 30.41%
    Honey 30.16%
    Tropical 26.44%
    Berry 26.22%
    Sweet 24.86%
    Rose 24.23%

     

    Flavor
    Bitter 77.4%
    Odorless 25.23%
    Nitrile 19.65%
    Heather 18.49%
    Broom 18.39%
    Animal 18.38%
    Very strong 18.29%
    Orange flower 18.26%
    Genet 18.11%
    Orange blossom 18.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    6.44 (neutral)

    Molecular weight
    343.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    559°C

    Flash point

    • 208.93 ˚C est.

  • Synonyms

    • Fema No. 4788
    • 0TA0227SQW
    • UNII-0TA0227SQW
    • 1309389-73-8
    • 3-Benzo(1,3)dioxol-5-yl-N,N-diphenyl-2-propenamide, (E)-
    • 3-(1,3-Benzodioxol-5-yl)-N,N-diphenylprop-2-enamide, (2E)-
    • SCHEMBL10270660
    • SCHEMBL13277740
    • BDBM435181
    • DTXSID601019527
    • US10584134, Example 3-6
    • (2E)-3-(1,3-Benzodioxol-5-yl)-N,N-diphenylacrylamide
    • 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N,N-diphenyl-, (2E)-

  • Applications

    2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N,N-diphenyl-, (2E)- (CAS 1309389-73-8) is a diaryl-substituted acrylamide that serves primarily as a synthetic intermediate. It may function as a monomer or co-monomer for specialty polymers and UV-curable coatings, resins and inks, as well as a reactive component in adhesive formulations, and provides a building block for the preparation of aryl-diphenyl amide derivatives in materials research and development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.09
    methanol 3.97
    isopropanol 2.93
    water 0.03
    ethyl acetate 8.63
    n-propanol 3.72
    acetone 21.44
    n-butanol 3.34
    acetonitrile 14.29
    DMF 40.34
    toluene 5.31
    isobutanol 2.85
    1,4-dioxane 24.21
    methyl acetate 14.22
    THF 82.32
    2-butanone 20.35
    n-pentanol 5.23
    sec-butanol 3.28
    n-hexane 0.17
    ethylene glycol 2.4
    NMP 18.34
    cyclohexane 0.32
    DMSO 68.36
    n-butyl acetate 9.91
    n-octanol 4.85
    chloroform 71.26
    n-propyl acetate 10.44
    acetic acid 13.63
    dichloromethane 78.23
    cyclohexanone 27.28
    propylene glycol 3.02
    isopropyl acetate 7.68
    DMAc 74.58
    2-ethoxyethanol 16.89
    isopentanol 4.16
    n-heptane 0.43
    ethyl formate 11.07
    1,2-dichloroethane 37.25
    n-hexanol 5.01
    2-methoxyethanol 17.83
    isobutyl acetate 9.16
    tetrachloromethane 2.58
    n-pentyl acetate 8.96
    transcutol 35.03
    n-heptanol 4.89
    ethylbenzene 4.41
    MIBK 9.91
    2-propoxyethanol 18.76
    tert-butanol 3.48
    MTBE 3.39
    2-butoxyethanol 14.43
    propionic acid 8.19
    o-xylene 3.13
    formic acid 6.53
    diethyl ether 4.15
    m-xylene 2.66
    p-xylene 5.87
    chlorobenzene 12.11
    dimethyl carbonate 13.35
    n-octane 0.41
    formamide 15.61
    cyclopentanone 42.11
    2-pentanone 11.53
    anisole 12.14
    cyclopentyl methyl ether 8.55
    gamma-butyrolactone 40.0
    1-methoxy-2-propanol 13.85
    pyridine 36.32
    3-pentanone 11.1
    furfural 35.62
    n-dodecane 0.79
    diethylene glycol 16.14
    diisopropyl ether 1.64
    tert-amyl alcohol 3.64
    acetylacetone 21.28
    n-hexadecane 0.91
    acetophenone 16.8
    methyl propionate 10.67
    isopentyl acetate 10.63
    trichloroethylene 73.82
    n-nonanol 6.1
    cyclohexanol 4.1
    benzyl alcohol 12.46
    2-ethylhexanol 5.16
    isooctanol 5.08
    dipropyl ether 7.0
    1,2-dichlorobenzene 12.7
    ethyl lactate 10.57
    propylene carbonate 18.96
    n-methylformamide 13.37
    2-pentanol 2.32
    n-pentane 0.1
    1-propoxy-2-propanol 13.11
    1-methoxy-2-propyl acetate 15.27
    2-(2-methoxypropoxy) propanol 18.39
    mesitylene 1.78
    ε-caprolactone 19.41
    p-cymene 3.95
    epichlorohydrin 61.29
    1,1,1-trichloroethane 16.59
    2-aminoethanol 3.8
    morpholine-4-carbaldehyde 28.61
    sulfolane 44.59
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 15.73
    n-hexyl acetate 10.36
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 20.77
    sec-butyl acetate 7.44
    tert-butyl acetate 8.24
    decalin 0.56
    glycerin 6.85
    diglyme 38.71
    acrylic acid 10.07
    isopropyl myristate 7.6
    n-butyric acid 9.67
    acetyl acetate 9.76
    di(2-ethylhexyl) phthalate 8.98
    ethyl propionate 9.32
    nitromethane 33.04
    1,2-diethoxyethane 14.9
    benzonitrile 17.3
    trioctyl phosphate 5.99
    1-bromopropane 8.82
    gamma-valerolactone 42.13
    n-decanol 5.29
    triethyl phosphate 9.43
    4-methyl-2-pentanol 2.69
    propionitrile 12.47
    vinylene carbonate 21.04
    1,1,2-trichlorotrifluoroethane 35.13
    DMS 13.44
    cumene 3.59
    2-octanol 3.48
    2-hexanone 14.15
    octyl acetate 8.25
    limonene 4.11
    1,2-dimethoxyethane 32.0
    ethyl orthosilicate 8.6
    tributyl phosphate 7.87
    diacetone alcohol 12.7
    N,N-dimethylaniline 8.94
    acrylonitrile 20.53
    aniline 8.7
    1,3-propanediol 6.63
    bromobenzene 11.9
    dibromomethane 33.29
    1,1,2,2-tetrachloroethane 49.41
    2-methyl-cyclohexyl acetate 11.88
    tetrabutyl urea 12.54
    diisobutyl methanol 3.8
    2-phenylethanol 12.64
    styrene 5.65
    dioctyl adipate 12.83
    dimethyl sulfate 21.15
    ethyl butyrate 10.71
    methyl lactate 11.06
    butyl lactate 10.59
    diethyl carbonate 9.74
    propanediol butyl ether 10.2
    triethyl orthoformate 10.83
    p-tert-butyltoluene 3.01
    methyl 4-tert-butylbenzoate 15.66
    morpholine 22.14
    tert-butylamine 1.74
    n-dodecanol 4.6
    dimethoxymethane 25.56
    ethylene carbonate 16.21
    cyrene 21.69
    2-ethoxyethyl acetate 14.45
    2-ethylhexyl acetate 8.67
    1,2,4-trichlorobenzene 15.58
    4-methylpyridine 17.77
    dibutyl ether 8.23
    2,6-dimethyl-4-heptanol 3.8
    DEF 14.73
    dimethyl isosorbide 30.99
    tetrachloroethylene 25.41
    eugenol 18.75
    triacetin 17.19
    span 80 12.38
    1,4-butanediol 4.4
    1,1-dichloroethane 19.24
    2-methyl-1-pentanol 6.08
    methyl formate 14.02
    2-methyl-1-butanol 3.49
    n-decane 1.1
    butyronitrile 11.01
    3,7-dimethyl-1-octanol 5.58
    1-chlorooctane 4.4
    1-chlorotetradecane 2.68
    n-nonane 0.78
    undecane 0.92
    tert-butylcyclohexane 0.42
    cyclooctane 0.13
    cyclopentanol 5.79
    tetrahydropyran 15.01
    tert-amyl methyl ether 3.69
    2,5,8-trioxanonane 32.97
    1-hexene 1.41
    2-isopropoxyethanol 12.58
    2,2,2-trifluoroethanol 8.29
    methyl butyrate 12.61

    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