1,3-Benzodioxole, 5-methoxy-

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  • Identifiers

    CAS number
    7228-35-5

    Molecular formula
    C8H8O3

    SMILES
    COC1=CC2=C(C=C1)OCO2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 79.63%
    Spicy 63.24%
    Vanilla 55.11%
    Phenolic 52.7%
    Floral 41.4%
    Powdery 40.77%
    Anisic 39.37%
    Aromatic 38.94%
    Smoky 33.51%
    Creamy 31.31%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    232°C

    Flash point est.
    109.96 ˚C

  • Synonyms

    • 5-methoxy-1,3-benzodioxole
    • 7228-35-5
    • 1,3-Benzodioxole, 5-methoxy-
    • 5-methoxybenzo[d][1,3]dioxole
    • 3,4-Methylenedioxyanisole
    • 5-METHOXY-2H-1,3-BENZODIOXOLE
    • AI3-21218
    • DTXSID00222604
    • MFCD02114098
    • SCHEMBL746722
    • DTXCID90145095
    • CHEBI:167411
    • 1-Methoxy-3,4methylenedioxybenzene
    • methoxy-4,5-methylene dioxybenzene
    • ALBB-025073
    • 1,3-Benzodioxol-5-yl methyl ether
    • 1-methoxy-3,4-methylenedioxybenzene
    • 1-methoxy-3.4-methylenedioxybenzene
    • AKOS015998303
    • 1,3-Benzodioxol-5-yl methyl ether #
    • CCG-321505
    • FM132678
    • LS-08322
    • DB-100379
    • CS-0204908
    • NS00113905
    • G81235
    • F1967-2383

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 145.82
    methanol 214.82
    isopropanol 127.69
    water 12.68
    ethyl acetate 268.6
    n-propanol 114.45
    acetone 222.56
    n-butanol 96.38
    acetonitrile 473.7
    DMF 366.4
    toluene 125.44
    isobutanol 87.92
    1,4-dioxane 583.24
    methyl acetate 320.21
    THF 274.41
    2-butanone 171.11
    n-pentanol 70.73
    sec-butanol 94.86
    n-hexane 4.83
    ethylene glycol 160.67
    NMP 190.54
    cyclohexane 27.71
    DMSO 478.49
    n-butyl acetate 62.96
    n-octanol 52.12
    chloroform 499.36
    n-propyl acetate 95.49
    acetic acid 258.75
    dichloromethane 623.53
    cyclohexanone 171.72
    propylene glycol 99.29
    isopropyl acetate 102.74
    DMAc 364.38
    2-ethoxyethanol 235.08
    isopentanol 82.81
    n-heptane 12.28
    ethyl formate 200.86
    1,2-dichloroethane 287.74
    n-hexanol 60.24
    2-methoxyethanol 401.11
    isobutyl acetate 49.91
    tetrachloromethane 90.44
    n-pentyl acetate 46.27
    transcutol 383.88
    n-heptanol 40.0
    ethylbenzene 47.86
    MIBK 67.73
    2-propoxyethanol 165.75
    tert-butanol 193.61
    MTBE 96.83
    2-butoxyethanol 94.44
    propionic acid 159.07
    o-xylene 83.88
    formic acid 213.35
    diethyl ether 126.88
    m-xylene 71.61
    p-xylene 73.29
    chlorobenzene 140.06
    dimethyl carbonate 158.15
    n-octane 6.79
    formamide 407.98
    cyclopentanone 182.85
    2-pentanone 102.33
    anisole 150.54
    cyclopentyl methyl ether 117.93
    gamma-butyrolactone 281.2
    1-methoxy-2-propanol 225.57
    pyridine 396.77
    3-pentanone 107.32
    furfural 313.96
    n-dodecane 8.66
    diethylene glycol 228.3
    diisopropyl ether 36.48
    tert-amyl alcohol 111.61
    acetylacetone 174.96
    n-hexadecane 9.65
    acetophenone 128.66
    methyl propionate 201.95
    isopentyl acetate 57.17
    trichloroethylene 478.56
    n-nonanol 51.45
    cyclohexanol 109.44
    benzyl alcohol 131.42
    2-ethylhexanol 44.07
    isooctanol 34.99
    dipropyl ether 65.68
    1,2-dichlorobenzene 137.33
    ethyl lactate 65.13
    propylene carbonate 158.29
    n-methylformamide 289.12
    2-pentanol 61.31
    n-pentane 7.99
    1-propoxy-2-propanol 89.04
    1-methoxy-2-propyl acetate 100.05
    2-(2-methoxypropoxy) propanol 107.52
    mesitylene 43.29
    ε-caprolactone 161.24
    p-cymene 34.78
    epichlorohydrin 374.77
    1,1,1-trichloroethane 255.78
    2-aminoethanol 161.78
    morpholine-4-carbaldehyde 380.48
    sulfolane 244.31
    2,2,4-trimethylpentane 5.81
    2-methyltetrahydrofuran 203.75
    n-hexyl acetate 67.97
    isooctane 4.36
    2-(2-butoxyethoxy)ethanol 138.57
    sec-butyl acetate 56.11
    tert-butyl acetate 94.76
    decalin 11.83
    glycerin 197.23
    diglyme 322.65
    acrylic acid 173.16
    isopropyl myristate 38.72
    n-butyric acid 154.67
    acetyl acetate 203.69
    di(2-ethylhexyl) phthalate 41.03
    ethyl propionate 104.13
    nitromethane 591.98
    1,2-diethoxyethane 125.16
    benzonitrile 178.05
    trioctyl phosphate 28.82
    1-bromopropane 112.14
    gamma-valerolactone 284.25
    n-decanol 41.16
    triethyl phosphate 55.48
    4-methyl-2-pentanol 37.6
    propionitrile 222.01
    vinylene carbonate 193.38
    1,1,2-trichlorotrifluoroethane 265.15
    DMS 93.11
    cumene 34.57
    2-octanol 28.68
    2-hexanone 66.23
    octyl acetate 46.36
    limonene 42.63
    1,2-dimethoxyethane 318.9
    ethyl orthosilicate 51.79
    tributyl phosphate 37.03
    diacetone alcohol 116.43
    N,N-dimethylaniline 99.14
    acrylonitrile 333.19
    aniline 183.99
    1,3-propanediol 208.28
    bromobenzene 154.56
    dibromomethane 310.0
    1,1,2,2-tetrachloroethane 326.63
    2-methyl-cyclohexyl acetate 60.09
    tetrabutyl urea 54.93
    diisobutyl methanol 34.7
    2-phenylethanol 96.16
    styrene 67.49
    dioctyl adipate 59.82
    dimethyl sulfate 206.0
    ethyl butyrate 84.43
    methyl lactate 118.86
    butyl lactate 40.65
    diethyl carbonate 79.61
    propanediol butyl ether 74.67
    triethyl orthoformate 65.71
    p-tert-butyltoluene 32.89
    methyl 4-tert-butylbenzoate 87.96
    morpholine 472.88
    tert-butylamine 100.09
    n-dodecanol 34.91
    dimethoxymethane 321.65
    ethylene carbonate 170.35
    cyrene 108.58
    2-ethoxyethyl acetate 87.83
    2-ethylhexyl acetate 45.39
    1,2,4-trichlorobenzene 154.06
    4-methylpyridine 277.59
    dibutyl ether 57.82
    2,6-dimethyl-4-heptanol 34.7
    DEF 182.04
    dimethyl isosorbide 170.92
    tetrachloroethylene 224.58
    eugenol 95.57
    triacetin 96.82
    span 80 71.41
    1,4-butanediol 91.94
    1,1-dichloroethane 262.17
    2-methyl-1-pentanol 56.42
    methyl formate 268.21
    2-methyl-1-butanol 72.61
    n-decane 11.81
    butyronitrile 154.56
    3,7-dimethyl-1-octanol 51.71
    1-chlorooctane 37.46
    1-chlorotetradecane 20.97
    n-nonane 10.51
    undecane 9.77
    tert-butylcyclohexane 9.08
    cyclooctane 10.11
    cyclopentanol 114.95
    tetrahydropyran 231.12
    tert-amyl methyl ether 72.56
    2,5,8-trioxanonane 253.85
    1-hexene 17.76
    2-isopropoxyethanol 134.79
    2,2,2-trifluoroethanol 171.97
    methyl butyrate 116.72

    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

Botanical

Name CAS Botanical Proportion
Canella winterana (French West Indies) leaf Canella winterana (L.) Gaertn., fam. Canellaceae 3.5%
Canella winterana (French West Indies) stem bark Canella winterana (L.) Gaertn., fam. Canellaceae 3.0%