2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran)

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  • Identifiers

    CAS number
    50354-06-8

    Molecular formula
    C21H22O5

    SMILES
    C/C=C/C1=CC2=C(C(=C1)OC)OC(C2C)C3=CC4=C(C(=C3)OC)OCO4

    Safety labels

  • Odor profile

    Fragrance
    Spicy 69.2%
    Floral 52.66%
    Sweet 37.52%
    Vanilla 32.96%
    Balsamic 31.93%
    Powdery 31.44%
    Woody 31.19%
    Phenolic 28.2%
    Warm 27.81%
    Fruity 26.89%

     

    Flavor
    Bitter 78.3%
    Parsley 21.65%
    Cedarleaf 19.78%
    Bland 19.2%
    Lovage 19.15%
    Eugenol 18.9%
    Spice 18.82%
    Ripe apricot 18.42%
    Carrot 18.16%
    Red fruit 18.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    5.55 (weak acid)

    Molecular weight
    354.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    565°C

    Flash point

    • 162.71 ˚C est.

  • Synonyms

    • 50354-06-8
    • RefChem:244862
    • 2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran)
    • CID 51136584
    • 4-methoxy-6-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole
    • NCGC00347743-02!4-methoxy-6-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole
    • 50354-06-8

  • Applications

    2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran (CAS 50354-06-8) is a benzofuran derivative that is commonly evaluated as an intermediate in organic synthesis with potential applications in fragrance and flavor chemistry, cosmetics/personal care, pharmaceutical synthesis, and broader industrial manufacturing. In fragrance and cosmetic contexts, it may serve as a precursor or component contributing to aroma profiles. In pharmaceutical synthesis, it is typically used as a synthetic intermediate for assembling medicinal scaffolds. In industrial manufacturing, it can function as a versatile building block for the production of other specialty chemicals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.56
    methanol 9.35
    isopropanol 9.25
    water 0.18
    ethyl acetate 42.12
    n-propanol 10.36
    acetone 47.3
    n-butanol 13.06
    acetonitrile 30.78
    DMF 34.76
    toluene 19.56
    isobutanol 10.63
    1,4-dioxane 64.33
    methyl acetate 38.68
    THF 90.65
    2-butanone 35.87
    n-pentanol 14.55
    sec-butanol 9.21
    n-hexane 0.99
    ethylene glycol 7.38
    NMP 44.74
    cyclohexane 3.2
    DMSO 47.06
    n-butyl acetate 29.15
    n-octanol 16.2
    chloroform 198.43
    n-propyl acetate 32.8
    acetic acid 55.61
    dichloromethane 180.68
    cyclohexanone 64.06
    propylene glycol 4.72
    isopropyl acetate 37.25
    DMAc 63.85
    2-ethoxyethanol 44.59
    isopentanol 19.66
    n-heptane 1.71
    ethyl formate 27.0
    1,2-dichloroethane 92.38
    n-hexanol 17.6
    2-methoxyethanol 42.45
    isobutyl acetate 32.84
    tetrachloromethane 24.0
    n-pentyl acetate 37.91
    transcutol 101.62
    n-heptanol 19.0
    ethylbenzene 12.52
    MIBK 34.47
    2-propoxyethanol 51.07
    tert-butanol 16.71
    MTBE 17.87
    2-butoxyethanol 47.85
    propionic acid 24.67
    o-xylene 14.33
    formic acid 21.38
    diethyl ether 21.32
    m-xylene 14.79
    p-xylene 18.93
    chlorobenzene 40.6
    dimethyl carbonate 41.47
    n-octane 1.76
    formamide 30.91
    cyclopentanone 71.7
    2-pentanone 33.24
    anisole 30.17
    cyclopentyl methyl ether 31.34
    gamma-butyrolactone 81.78
    1-methoxy-2-propanol 32.83
    pyridine 58.79
    3-pentanone 31.14
    furfural 83.08
    n-dodecane 2.12
    diethylene glycol 52.56
    diisopropyl ether 9.86
    tert-amyl alcohol 14.66
    acetylacetone 67.69
    n-hexadecane 2.45
    acetophenone 42.93
    methyl propionate 33.63
    isopentyl acetate 37.48
    trichloroethylene 197.04
    n-nonanol 18.34
    cyclohexanol 19.8
    benzyl alcohol 31.5
    2-ethylhexanol 16.22
    isooctanol 19.55
    dipropyl ether 15.57
    1,2-dichlorobenzene 50.33
    ethyl lactate 25.33
    propylene carbonate 51.84
    n-methylformamide 18.5
    2-pentanol 10.5
    n-pentane 1.01
    1-propoxy-2-propanol 32.65
    1-methoxy-2-propyl acetate 46.82
    2-(2-methoxypropoxy) propanol 47.54
    mesitylene 10.46
    ε-caprolactone 55.71
    p-cymene 13.45
    epichlorohydrin 113.74
    1,1,1-trichloroethane 82.98
    2-aminoethanol 8.99
    morpholine-4-carbaldehyde 69.06
    sulfolane 80.88
    2,2,4-trimethylpentane 1.49
    2-methyltetrahydrofuran 41.48
    n-hexyl acetate 39.06
    isooctane 1.11
    2-(2-butoxyethoxy)ethanol 55.26
    sec-butyl acetate 29.0
    tert-butyl acetate 43.15
    decalin 2.57
    glycerin 16.63
    diglyme 104.21
    acrylic acid 30.95
    isopropyl myristate 21.52
    n-butyric acid 38.09
    acetyl acetate 59.23
    di(2-ethylhexyl) phthalate 27.77
    ethyl propionate 30.31
    nitromethane 93.97
    1,2-diethoxyethane 40.52
    benzonitrile 41.67
    trioctyl phosphate 20.49
    1-bromopropane 28.77
    gamma-valerolactone 90.04
    n-decanol 14.25
    triethyl phosphate 25.85
    4-methyl-2-pentanol 12.65
    propionitrile 27.57
    vinylene carbonate 60.17
    1,1,2-trichlorotrifluoroethane 92.0
    DMS 42.79
    cumene 11.07
    2-octanol 13.77
    2-hexanone 32.36
    octyl acetate 25.56
    limonene 13.81
    1,2-dimethoxyethane 67.32
    ethyl orthosilicate 25.06
    tributyl phosphate 22.8
    diacetone alcohol 43.6
    N,N-dimethylaniline 21.58
    acrylonitrile 40.1
    aniline 24.0
    1,3-propanediol 20.08
    bromobenzene 45.57
    dibromomethane 94.76
    1,1,2,2-tetrachloroethane 127.6
    2-methyl-cyclohexyl acetate 39.55
    tetrabutyl urea 29.39
    diisobutyl methanol 12.83
    2-phenylethanol 37.65
    styrene 13.77
    dioctyl adipate 34.74
    dimethyl sulfate 58.12
    ethyl butyrate 27.97
    methyl lactate 25.15
    butyl lactate 30.61
    diethyl carbonate 27.51
    propanediol butyl ether 29.7
    triethyl orthoformate 27.9
    p-tert-butyltoluene 11.49
    methyl 4-tert-butylbenzoate 48.39
    morpholine 50.27
    tert-butylamine 8.83
    n-dodecanol 11.54
    dimethoxymethane 55.02
    ethylene carbonate 50.99
    cyrene 57.61
    2-ethoxyethyl acetate 56.21
    2-ethylhexyl acetate 29.32
    1,2,4-trichlorobenzene 55.27
    4-methylpyridine 41.68
    dibutyl ether 17.88
    2,6-dimethyl-4-heptanol 12.83
    DEF 36.11
    dimethyl isosorbide 78.75
    tetrachloroethylene 94.46
    eugenol 49.14
    triacetin 53.33
    span 80 34.53
    1,4-butanediol 12.26
    1,1-dichloroethane 65.45
    2-methyl-1-pentanol 19.79
    methyl formate 25.01
    2-methyl-1-butanol 14.94
    n-decane 3.24
    butyronitrile 24.98
    3,7-dimethyl-1-octanol 17.98
    1-chlorooctane 12.76
    1-chlorotetradecane 6.69
    n-nonane 2.6
    undecane 2.51
    tert-butylcyclohexane 2.11
    cyclooctane 1.46
    cyclopentanol 17.41
    tetrahydropyran 37.74
    tert-amyl methyl ether 15.82
    2,5,8-trioxanonane 81.99
    1-hexene 4.37
    2-isopropoxyethanol 40.42
    2,2,2-trifluoroethanol 37.41
    methyl butyrate 33.36

    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