1,3-Benzodioxole, 5-(dimethoxymethyl)-

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  • Identifiers

    CAS number
    59259-90-4

    Molecular formula
    C10H12O4

    SMILES
    COC(C1=CC2=C(C=C1)OCO2)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 71.86%
    Sweet 64.57%
    Spicy 51.8%
    Vanilla 47.39%
    Green 40.74%
    Anisic 38.19%
    Aromatic 36.19%
    Powdery 34.62%
    Earthy 33.2%
    Fresh 32.24%

     

    Flavor
    Bitter 58.81%
    Sweet 28.73%
    Fruity 28.24%
    Earthy 28.12%
    Floral 25.93%
    Musty 25.49%
    Green 23.25%
    Creamy 22.11%
    Hummus 22.06%
    Metallic 21.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.81 (weak acid)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point

    • 119.71 ˚C est.

  • Synonyms

    • 59259-90-4
    • 1,3-Benzodioxole, 5-(dimethoxymethyl)-
    • Piperonal dimethyl acetal
    • EINECS 261-679-9
    • 5-DIMETHOXYMETHYL-BENZO[1,3]DIOXOLE
    • DTXSID7069316
    • 5-(dimethoxymethyl)-1,3-benzodioxole
    • 5-DIMETHOXYMETHYL-BENZO(1,3)DIOXOLE
    • 5-(Dimethoxymethyl)benzo-1,3-dioxole
    • heliotropyl dimethyl acetal
    • SCHEMBL8412184
    • DTXCID5042584
    • UNANDJIJRBQOOF-UHFFFAOYSA-N
    • AKOS006272735
    • NS00034120

  • Applications

    1,3-Benzodioxole, 5-(dimethoxymethyl)- (CAS 59259-90-4) is primarily used as a fragrance and flavor intermediate in the chemical industry, serving as a building block for aroma compounds and as a precursor in the synthesis of more complex benzodioxole derivatives for perfumery. It is commonly evaluated for use in cosmetics and personal care formulations as a source of characteristic odor notes, and in household products as an odorant component. In industrial manufacturing, it can function as an intermediate in the synthesis of aroma-related compounds for coatings, inks, and polymer additives. Its applications are typically aligned with fragrance chemistry and aroma delivery, and use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.45
    methanol 240.62
    isopropanol 136.56
    water 32.89
    ethyl acetate 413.4
    n-propanol 121.51
    acetone 478.48
    n-butanol 118.37
    acetonitrile 500.63
    DMF 915.16
    toluene 79.9
    isobutanol 109.67
    1,4-dioxane 469.59
    methyl acetate 387.39
    THF 571.6
    2-butanone 251.33
    n-pentanol 87.19
    sec-butanol 119.46
    n-hexane 9.85
    ethylene glycol 159.67
    NMP 712.89
    cyclohexane 21.28
    DMSO 778.34
    n-butyl acetate 151.11
    n-octanol 40.37
    chloroform 819.83
    n-propyl acetate 209.43
    acetic acid 1011.63
    dichloromethane 885.56
    cyclohexanone 297.43
    propylene glycol 98.68
    isopropyl acetate 257.87
    DMAc 706.22
    2-ethoxyethanol 417.52
    isopentanol 131.23
    n-heptane 10.53
    ethyl formate 292.11
    1,2-dichloroethane 541.94
    n-hexanol 74.35
    2-methoxyethanol 637.37
    isobutyl acetate 123.96
    tetrachloromethane 161.45
    n-pentyl acetate 77.25
    transcutol 707.67
    n-heptanol 40.92
    ethylbenzene 54.21
    MIBK 169.98
    2-propoxyethanol 269.5
    tert-butanol 232.25
    MTBE 221.1
    2-butoxyethanol 144.0
    propionic acid 301.64
    o-xylene 73.87
    formic acid 900.14
    diethyl ether 236.79
    m-xylene 70.95
    p-xylene 69.31
    chlorobenzene 187.12
    dimethyl carbonate 368.62
    n-octane 4.76
    formamide 1381.04
    cyclopentanone 455.56
    2-pentanone 237.84
    anisole 234.17
    cyclopentyl methyl ether 259.07
    gamma-butyrolactone 706.72
    1-methoxy-2-propanol 372.95
    pyridine 370.12
    3-pentanone 208.37
    furfural 765.18
    n-dodecane 4.55
    diethylene glycol 328.11
    diisopropyl ether 83.91
    tert-amyl alcohol 194.55
    acetylacetone 492.29
    n-hexadecane 5.14
    acetophenone 245.5
    methyl propionate 331.36
    isopentyl acetate 141.22
    trichloroethylene 1176.35
    n-nonanol 40.41
    cyclohexanol 133.69
    benzyl alcohol 164.82
    2-ethylhexanol 57.16
    isooctanol 41.37
    dipropyl ether 88.62
    1,2-dichlorobenzene 225.36
    ethyl lactate 145.58
    propylene carbonate 429.07
    n-methylformamide 596.22
    2-pentanol 100.39
    n-pentane 13.28
    1-propoxy-2-propanol 154.21
    1-methoxy-2-propyl acetate 236.27
    2-(2-methoxypropoxy) propanol 178.83
    mesitylene 51.35
    ε-caprolactone 316.1
    p-cymene 45.23
    epichlorohydrin 862.52
    1,1,1-trichloroethane 507.6
    2-aminoethanol 199.31
    morpholine-4-carbaldehyde 795.65
    sulfolane 689.83
    2,2,4-trimethylpentane 13.65
    2-methyltetrahydrofuran 358.72
    n-hexyl acetate 105.14
    isooctane 8.83
    2-(2-butoxyethoxy)ethanol 198.99
    sec-butyl acetate 156.25
    tert-butyl acetate 286.09
    decalin 14.4
    glycerin 288.52
    diglyme 535.16
    acrylic acid 420.71
    isopropyl myristate 51.99
    n-butyric acid 329.83
    acetyl acetate 475.88
    di(2-ethylhexyl) phthalate 59.15
    ethyl propionate 210.25
    nitromethane 1809.86
    1,2-diethoxyethane 187.09
    benzonitrile 195.81
    trioctyl phosphate 38.92
    1-bromopropane 164.51
    gamma-valerolactone 654.65
    n-decanol 30.42
    triethyl phosphate 117.09
    4-methyl-2-pentanol 75.53
    propionitrile 223.0
    vinylene carbonate 447.59
    1,1,2-trichlorotrifluoroethane 880.92
    DMS 201.16
    cumene 46.48
    2-octanol 28.46
    2-hexanone 138.63
    octyl acetate 61.52
    limonene 60.95
    1,2-dimethoxyethane 556.73
    ethyl orthosilicate 104.5
    tributyl phosphate 60.05
    diacetone alcohol 281.96
    N,N-dimethylaniline 155.07
    acrylonitrile 370.42
    aniline 194.9
    1,3-propanediol 261.06
    bromobenzene 173.69
    dibromomethane 421.56
    1,1,2,2-tetrachloroethane 762.29
    2-methyl-cyclohexyl acetate 117.13
    tetrabutyl urea 74.92
    diisobutyl methanol 45.16
    2-phenylethanol 120.08
    styrene 76.75
    dioctyl adipate 90.4
    dimethyl sulfate 598.55
    ethyl butyrate 163.52
    methyl lactate 233.74
    butyl lactate 77.2
    diethyl carbonate 152.01
    propanediol butyl ether 103.4
    triethyl orthoformate 126.39
    p-tert-butyltoluene 42.78
    methyl 4-tert-butylbenzoate 156.33
    morpholine 502.44
    tert-butylamine 138.5
    n-dodecanol 24.6
    dimethoxymethane 608.04
    ethylene carbonate 332.25
    cyrene 220.6
    2-ethoxyethyl acetate 156.82
    2-ethylhexyl acetate 112.51
    1,2,4-trichlorobenzene 270.35
    4-methylpyridine 291.67
    dibutyl ether 62.72
    2,6-dimethyl-4-heptanol 45.16
    DEF 392.06
    dimethyl isosorbide 306.39
    tetrachloroethylene 584.68
    eugenol 151.64
    triacetin 194.28
    span 80 101.89
    1,4-butanediol 116.1
    1,1-dichloroethane 412.47
    2-methyl-1-pentanol 99.93
    methyl formate 557.76
    2-methyl-1-butanol 120.89
    n-decane 7.14
    butyronitrile 189.91
    3,7-dimethyl-1-octanol 55.69
    1-chlorooctane 32.54
    1-chlorotetradecane 15.33
    n-nonane 6.28
    undecane 5.42
    tert-butylcyclohexane 12.57
    cyclooctane 9.63
    cyclopentanol 162.1
    tetrahydropyran 246.32
    tert-amyl methyl ether 182.43
    2,5,8-trioxanonane 340.13
    1-hexene 33.66
    2-isopropoxyethanol 256.03
    2,2,2-trifluoroethanol 747.62
    methyl butyrate 240.37

    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