4,7-Dimethoxy-5-[prop-1-en-1-yl]-2H-1,3-benzodioxole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    921936-70-1

    Molecular formula
    C12H14O4

    SMILES
    CC=CC1=CC(=C2C(=C1OC)OCO2)OC

  • Odor profile

    Fragrance
    Spicy 83.75%
    Woody 46.47%
    Floral 41.49%
    Phenolic 39.19%
    Clove 37.02%
    Warm 36.55%
    Smoky 34.07%
    Herbal 33.05%
    Balsamic 31.58%
    Sweet 29.87%

     

    Flavor
    Spice 40.89%
    Bitter 39.89%
    Parsley 22.8%
    Flower 21.57%
    Eugenol 20.56%
    Woody 19.88%
    Wood 19.85%
    Lovage 19.58%
    Ham 19.06%
    Carrot 18.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.27 (neutral)

    Molecular weight
    222.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    300°C

    Flash point

    • 127.75 ˚C est.

  • Synonyms

    • 921936-70-1
    • DTXSID40694346
    • 4,7-Dimethoxy-5-(prop-1-en-1-yl)-2H-1,3-benzodioxole
    • 4,7-Dimethoxy-5-[prop-1-en-1-yl]-2H-1,3-benzodioxole
    • 4,7-dimethoxy-5-prop-1-enyl-1,3-benzodioxole
    • DTXCID40645095
    • AKOS030230266

  • Applications

    4,7-Dimethoxy-5-[prop-1-en-1-yl]-2H-1,3-benzodioxole (CAS 921936-70-1) is primarily encountered as a fragrance ingredient and aroma intermediate, and may be used in perfumery to contribute distinctive sweet, spicy, or resinous notes; it may also serve as a flavor/aroma precursor in limited applications under regulatory controls. In cosmetics and personal care, it can be employed as a fragrance component within formulated products, subject to regulatory limits. In industrial manufacturing, it functions as a building block for the synthesis of other benzodioxole-containing aroma compounds and related fine chemicals. It may appear in household products as a fragrance additive to impart characteristic odor profiles. As a specialized intermediate, it may be used in research and development settings to access novel aroma chemistries, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.01
    methanol 90.83
    isopropanol 52.36
    water 0.84
    ethyl acetate 156.66
    n-propanol 60.69
    acetone 208.15
    n-butanol 60.7
    acetonitrile 162.9
    DMF 282.67
    toluene 58.66
    isobutanol 47.03
    1,4-dioxane 246.35
    methyl acetate 182.59
    THF 292.43
    2-butanone 119.59
    n-pentanol 49.1
    sec-butanol 48.08
    n-hexane 3.87
    ethylene glycol 94.05
    NMP 276.53
    cyclohexane 17.13
    DMSO 254.85
    n-butyl acetate 92.44
    n-octanol 40.27
    chloroform 505.25
    n-propyl acetate 95.4
    acetic acid 234.75
    dichloromethane 511.45
    cyclohexanone 205.52
    propylene glycol 55.65
    isopropyl acetate 89.73
    DMAc 188.07
    2-ethoxyethanol 147.24
    isopentanol 55.25
    n-heptane 6.59
    ethyl formate 160.33
    1,2-dichloroethane 341.84
    n-hexanol 61.34
    2-methoxyethanol 248.51
    isobutyl acetate 67.12
    tetrachloromethane 97.06
    n-pentyl acetate 73.51
    transcutol 188.13
    n-heptanol 43.69
    ethylbenzene 37.65
    MIBK 68.37
    2-propoxyethanol 146.21
    tert-butanol 73.75
    MTBE 57.65
    2-butoxyethanol 101.87
    propionic acid 118.88
    o-xylene 48.15
    formic acid 121.11
    diethyl ether 68.54
    m-xylene 44.34
    p-xylene 53.88
    chlorobenzene 163.83
    dimethyl carbonate 151.78
    n-octane 4.94
    formamide 191.05
    cyclopentanone 280.3
    2-pentanone 100.45
    anisole 102.18
    cyclopentyl methyl ether 116.29
    gamma-butyrolactone 378.04
    1-methoxy-2-propanol 136.82
    pyridine 234.84
    3-pentanone 87.25
    furfural 391.52
    n-dodecane 6.26
    diethylene glycol 203.3
    diisopropyl ether 25.59
    tert-amyl alcohol 60.12
    acetylacetone 178.41
    n-hexadecane 7.22
    acetophenone 120.09
    methyl propionate 142.86
    isopentyl acetate 87.39
    trichloroethylene 624.1
    n-nonanol 38.04
    cyclohexanol 91.64
    benzyl alcohol 109.74
    2-ethylhexanol 45.92
    isooctanol 38.15
    dipropyl ether 38.14
    1,2-dichlorobenzene 170.99
    ethyl lactate 77.98
    propylene carbonate 233.41
    n-methylformamide 181.25
    2-pentanol 40.46
    n-pentane 4.75
    1-propoxy-2-propanol 83.69
    1-methoxy-2-propyl acetate 109.21
    2-(2-methoxypropoxy) propanol 86.96
    mesitylene 31.28
    ε-caprolactone 204.18
    p-cymene 35.0
    epichlorohydrin 410.78
    1,1,1-trichloroethane 267.66
    2-aminoethanol 84.14
    morpholine-4-carbaldehyde 268.16
    sulfolane 359.39
    2,2,4-trimethylpentane 6.03
    2-methyltetrahydrofuran 168.1
    n-hexyl acetate 86.7
    isooctane 4.59
    2-(2-butoxyethoxy)ethanol 105.06
    sec-butyl acetate 64.11
    tert-butyl acetate 91.0
    decalin 11.52
    glycerin 136.83
    diglyme 222.0
    acrylic acid 163.66
    isopropyl myristate 40.86
    n-butyric acid 143.88
    acetyl acetate 159.52
    di(2-ethylhexyl) phthalate 56.08
    ethyl propionate 88.92
    nitromethane 379.09
    1,2-diethoxyethane 72.79
    benzonitrile 152.19
    trioctyl phosphate 43.08
    1-bromopropane 97.86
    gamma-valerolactone 324.18
    n-decanol 30.72
    triethyl phosphate 62.83
    4-methyl-2-pentanol 30.83
    propionitrile 103.08
    vinylene carbonate 253.62
    1,1,2-trichlorotrifluoroethane 346.5
    DMS 119.56
    cumene 31.72
    2-octanol 29.47
    2-hexanone 76.02
    octyl acetate 52.75
    limonene 42.75
    1,2-dimethoxyethane 202.94
    ethyl orthosilicate 56.35
    tributyl phosphate 47.82
    diacetone alcohol 105.73
    N,N-dimethylaniline 67.5
    acrylonitrile 175.44
    aniline 111.62
    1,3-propanediol 122.98
    bromobenzene 166.6
    dibromomethane 298.18
    1,1,2,2-tetrachloroethane 424.15
    2-methyl-cyclohexyl acetate 82.71
    tetrabutyl urea 60.33
    diisobutyl methanol 30.55
    2-phenylethanol 105.99
    styrene 50.28
    dioctyl adipate 65.2
    dimethyl sulfate 202.22
    ethyl butyrate 78.02
    methyl lactate 114.41
    butyl lactate 65.48
    diethyl carbonate 76.81
    propanediol butyl ether 78.25
    triethyl orthoformate 62.87
    p-tert-butyltoluene 33.52
    methyl 4-tert-butylbenzoate 100.62
    morpholine 225.61
    tert-butylamine 42.83
    n-dodecanol 25.8
    dimethoxymethane 222.8
    ethylene carbonate 206.55
    cyrene 131.27
    2-ethoxyethyl acetate 105.9
    2-ethylhexyl acetate 73.37
    1,2,4-trichlorobenzene 197.64
    4-methylpyridine 171.89
    dibutyl ether 37.42
    2,6-dimethyl-4-heptanol 30.55
    DEF 130.68
    dimethyl isosorbide 158.33
    tetrachloroethylene 335.27
    eugenol 104.51
    triacetin 107.78
    span 80 71.07
    1,4-butanediol 61.22
    1,1-dichloroethane 232.1
    2-methyl-1-pentanol 50.6
    methyl formate 225.38
    2-methyl-1-butanol 50.9
    n-decane 8.35
    butyronitrile 93.69
    3,7-dimethyl-1-octanol 40.04
    1-chlorooctane 35.39
    1-chlorotetradecane 19.02
    n-nonane 7.23
    undecane 7.09
    tert-butylcyclohexane 9.2
    cyclooctane 6.77
    cyclopentanol 105.36
    tetrahydropyran 152.68
    tert-amyl methyl ether 48.42
    2,5,8-trioxanonane 145.37
    1-hexene 15.08
    2-isopropoxyethanol 97.31
    2,2,2-trifluoroethanol 163.14
    methyl butyrate 113.79

    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