4,5-dimethoxy-6-(prop-1-en-1-yl)-2H-1,3-benzodioxole

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  • Identifiers

    CAS number
    23731-63-7

    Molecular formula
    C12H14O4

    SMILES
    CC=CC1=CC2=C(C(=C1OC)OC)OCO2

  • Odor profile

    Fragrance
    Spicy 83.64%
    Woody 46.23%
    Phenolic 39.69%
    Floral 38.86%
    Clove 36.1%
    Warm 36.09%
    Smoky 34.81%
    Herbal 31.11%
    Balsamic 30.75%
    Sweet 27.54%

     

    Flavor
    Spice 41.89%
    Bitter 38.87%
    Parsley 22.86%
    Flower 21.4%
    Eugenol 20.71%
    Woody 20.28%
    Wood 20.0%
    Lovage 19.66%
    Ham 19.13%
    Cedarleaf 19.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.39 (neutral)

    Molecular weight
    222.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    302°C

    Flash point

    • 126.5 ˚C est.

  • Synonyms

    • 23731-63-7
    • 4,5-dimethoxy-6-(prop-1-en-1-yl)-2H-1,3-benzodioxole
    • DTXSID301240046
    • AKOS030241158
    • 4,5-Dimethoxy-6-(1-propen-1-yl)-1,3-benzodioxole

  • Applications

    4,5-dimethoxy-6-(prop-1-en-1-yl)-2H-1,3-benzodioxole (CAS 23731-63-7) is used primarily as a synthetic intermediate and fragrance precursor in the chemical industry; in perfumery and cosmetics it serves as a fragrance component and odor modifier, in flavor development as an aroma ingredient, in household products as a fragrance booster or fixative, in polymers/plastics as a specialty building block for benzodioxole-containing materials, and in industrial manufacturing generally as an intermediate for synthesizing more complex aromatic compounds; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 96.49
    methanol 116.09
    isopropanol 64.15
    water 0.89
    ethyl acetate 151.0
    n-propanol 76.14
    acetone 221.12
    n-butanol 70.79
    acetonitrile 174.02
    DMF 305.16
    toluene 59.4
    isobutanol 55.32
    1,4-dioxane 271.24
    methyl acetate 185.06
    THF 295.82
    2-butanone 130.05
    n-pentanol 58.52
    sec-butanol 58.23
    n-hexane 4.13
    ethylene glycol 119.98
    NMP 263.54
    cyclohexane 18.0
    DMSO 293.54
    n-butyl acetate 94.08
    n-octanol 49.46
    chloroform 542.6
    n-propyl acetate 98.03
    acetic acid 218.14
    dichloromethane 529.48
    cyclohexanone 212.99
    propylene glycol 69.69
    isopropyl acetate 83.09
    DMAc 192.95
    2-ethoxyethanol 162.56
    isopentanol 59.67
    n-heptane 7.42
    ethyl formate 175.29
    1,2-dichloroethane 337.83
    n-hexanol 70.61
    2-methoxyethanol 269.17
    isobutyl acetate 66.68
    tetrachloromethane 104.36
    n-pentyl acetate 78.47
    transcutol 179.44
    n-heptanol 50.48
    ethylbenzene 40.92
    MIBK 64.72
    2-propoxyethanol 158.52
    tert-butanol 77.78
    MTBE 56.53
    2-butoxyethanol 111.68
    propionic acid 121.73
    o-xylene 49.96
    formic acid 114.36
    diethyl ether 68.78
    m-xylene 43.98
    p-xylene 58.2
    chlorobenzene 167.74
    dimethyl carbonate 142.08
    n-octane 6.14
    formamide 186.22
    cyclopentanone 286.55
    2-pentanone 102.12
    anisole 106.83
    cyclopentyl methyl ether 113.88
    gamma-butyrolactone 368.47
    1-methoxy-2-propanol 146.81
    pyridine 245.94
    3-pentanone 87.63
    furfural 388.7
    n-dodecane 7.67
    diethylene glycol 218.97
    diisopropyl ether 23.7
    tert-amyl alcohol 65.54
    acetylacetone 173.6
    n-hexadecane 8.86
    acetophenone 123.91
    methyl propionate 146.14
    isopentyl acetate 86.62
    trichloroethylene 627.15
    n-nonanol 44.92
    cyclohexanol 96.18
    benzyl alcohol 121.25
    2-ethylhexanol 51.11
    isooctanol 42.49
    dipropyl ether 40.35
    1,2-dichlorobenzene 177.12
    ethyl lactate 84.49
    propylene carbonate 235.8
    n-methylformamide 207.12
    2-pentanol 43.4
    n-pentane 5.26
    1-propoxy-2-propanol 90.06
    1-methoxy-2-propyl acetate 107.92
    2-(2-methoxypropoxy) propanol 91.01
    mesitylene 30.52
    ε-caprolactone 207.03
    p-cymene 37.92
    epichlorohydrin 409.13
    1,1,1-trichloroethane 264.37
    2-aminoethanol 105.41
    morpholine-4-carbaldehyde 278.5
    sulfolane 372.62
    2,2,4-trimethylpentane 5.86
    2-methyltetrahydrofuran 167.13
    n-hexyl acetate 97.48
    isooctane 4.56
    2-(2-butoxyethoxy)ethanol 110.19
    sec-butyl acetate 60.35
    tert-butyl acetate 81.26
    decalin 12.34
    glycerin 152.53
    diglyme 227.93
    acrylic acid 163.6
    isopropyl myristate 43.36
    n-butyric acid 144.42
    acetyl acetate 139.04
    di(2-ethylhexyl) phthalate 61.4
    ethyl propionate 89.83
    nitromethane 356.08
    1,2-diethoxyethane 76.23
    benzonitrile 163.17
    trioctyl phosphate 46.53
    1-bromopropane 106.41
    gamma-valerolactone 331.92
    n-decanol 36.24
    triethyl phosphate 63.03
    4-methyl-2-pentanol 30.64
    propionitrile 111.94
    vinylene carbonate 247.53
    1,1,2-trichlorotrifluoroethane 354.76
    DMS 118.4
    cumene 33.96
    2-octanol 34.36
    2-hexanone 80.94
    octyl acetate 58.48
    limonene 45.84
    1,2-dimethoxyethane 221.39
    ethyl orthosilicate 55.73
    tributyl phosphate 51.31
    diacetone alcohol 102.34
    N,N-dimethylaniline 70.39
    acrylonitrile 187.82
    aniline 111.0
    1,3-propanediol 142.34
    bromobenzene 173.26
    dibromomethane 316.82
    1,1,2,2-tetrachloroethane 432.7
    2-methyl-cyclohexyl acetate 81.36
    tetrabutyl urea 64.6
    diisobutyl methanol 31.86
    2-phenylethanol 114.64
    styrene 53.4
    dioctyl adipate 70.95
    dimethyl sulfate 199.82
    ethyl butyrate 78.81
    methyl lactate 119.55
    butyl lactate 71.7
    diethyl carbonate 77.41
    propanediol butyl ether 92.02
    triethyl orthoformate 63.57
    p-tert-butyltoluene 35.52
    methyl 4-tert-butylbenzoate 104.71
    morpholine 239.0
    tert-butylamine 45.92
    n-dodecanol 30.76
    dimethoxymethane 228.4
    ethylene carbonate 204.21
    cyrene 132.3
    2-ethoxyethyl acetate 109.24
    2-ethylhexyl acetate 72.26
    1,2,4-trichlorobenzene 199.28
    4-methylpyridine 175.61
    dibutyl ether 41.65
    2,6-dimethyl-4-heptanol 31.86
    DEF 129.41
    dimethyl isosorbide 156.59
    tetrachloroethylene 332.37
    eugenol 113.59
    triacetin 109.98
    span 80 76.34
    1,4-butanediol 76.44
    1,1-dichloroethane 233.98
    2-methyl-1-pentanol 55.1
    methyl formate 247.26
    2-methyl-1-butanol 58.05
    n-decane 10.19
    butyronitrile 103.71
    3,7-dimethyl-1-octanol 44.66
    1-chlorooctane 42.07
    1-chlorotetradecane 22.25
    n-nonane 8.93
    undecane 8.65
    tert-butylcyclohexane 9.6
    cyclooctane 7.28
    cyclopentanol 114.26
    tetrahydropyran 158.05
    tert-amyl methyl ether 46.78
    2,5,8-trioxanonane 150.66
    1-hexene 16.91
    2-isopropoxyethanol 102.63
    2,2,2-trifluoroethanol 150.13
    methyl butyrate 120.69

    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