alpha-Ethenyl-1,3-benzodioxole-5-methanol

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  • Identifiers

    CAS number
    5208-87-7

    Molecular formula
    C10H10O3

    SMILES
    C=CC(C1=CC2=C(C=C1)OCO2)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 58.65%
    Vanilla 49.16%
    Spicy 48.93%
    Floral 43.87%
    Balsamic 34.67%
    Creamy 30.82%
    Powdery 29.83%
    Aromatic 26.64%
    Warm 26.04%
    Cinnamon 25.19%

     

    Flavor
    Bitter 70.91%
    Sweet 43.13%
    Vanilla 29.04%
    Floral 25.65%
    Powdery 25.06%
    Woody 23.0%
    Spicy 22.33%
    Heliotropin 20.21%
    Spice 20.15%
    Balsam 20.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.28 (neutral)

    Molecular weight
    178.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point

    • 141.94 ˚C est.

  • Synonyms

    • 1'-HYDROXYSAFROLE
    • 5208-87-7
    • Piperonyl alcohol, alpha-vinyl-
    • 1,3-Benzodioxole-5-(2-propen-1-ol)
    • alpha-Ethenyl-1,3-benzodioxole-5-methanol
    • 1,2-Methylenedioxy-4-(1-hydroxyallyl)benzene
    • DTXSID0020731
    • 1,3-Benzodioxole-5-methanol, alpha-ethenyl-
    • C9B19855E2
    • RefChem:70678
    • DTXCID60731
    • 1-(1,3-benzodioxol-5-yl)prop-2-en-1-ol
    • 1-(benzo[d][1,3]dioxol-5-yl)prop-2-en-1-ol
    • 1-(2H-1,3-benzodioxol-5-yl)prop-2-en-1-ol
    • 1'-Hyroxysafrole
    • CCRIS 341
    • HSDB 3492
    • BRN 0167676
    • UNII-C9B19855E2
    • Piperonyl alcohol, .alpha.-vinyl-
    • starbld0032503
    • 1,3-Benzodioxole-5-methanol, .alpha.-ethenyl-
    • 1'-HYDROXYISOSAFROLE
    • 4-19-00-00802 (Beilstein Handbook Reference)
    • SCHEMBL6869336
    • 1'-HYDROXYSAFROLE [HSDB]
    • MFCD01659740
    • AKOS006275901
    • DB-132071
    • 1-(1,3-dioxaindan-5-yl)prop-2-en-1-ol
    • CS-0267130
    • EN300-1995939
    • 2-(3,4-METHYLENEDIOXYPHENYL)ALLYL ALCOHOL
    • .ALPHA.-VINYL-1,3-BENZODIOXOLE-5-METHANOL
    • .ALPHA.-ETHENYL-1,3-BENZODIOXOLE-5-METHANOL
    • Q27275352
    • 5208-87-7

  • Applications

    alpha-Ethenyl-1,3-benzodioxole-5-methanol (CAS 5208-87-7) is primarily used as a synthetic intermediate in fragrance chemistry, often as a precursor to benzodioxole-based odorants; its vinyl functionality makes it a potential reactive monomer or co-monomer for specialty polymers and coatings; it may be used as a fragrance intermediate in cosmetics/personal care formulations and as a flavor intermediate in selected food-related applications, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 98.37
    methanol 184.13
    isopropanol 76.36
    water 3.38
    ethyl acetate 153.36
    n-propanol 77.63
    acetone 134.52
    n-butanol 72.62
    acetonitrile 155.22
    DMF 226.0
    toluene 22.27
    isobutanol 52.64
    1,4-dioxane 231.01
    methyl acetate 146.72
    THF 233.03
    2-butanone 103.7
    n-pentanol 52.24
    sec-butanol 63.94
    n-hexane 0.96
    ethylene glycol 107.46
    NMP 97.49
    cyclohexane 3.65
    DMSO 271.55
    n-butyl acetate 44.42
    n-octanol 26.58
    chloroform 76.62
    n-propyl acetate 68.81
    acetic acid 157.16
    dichloromethane 110.74
    cyclohexanone 86.7
    propylene glycol 69.86
    isopropyl acetate 83.93
    DMAc 219.22
    2-ethoxyethanol 200.12
    isopentanol 74.79
    n-heptane 2.83
    ethyl formate 76.65
    1,2-dichloroethane 81.59
    n-hexanol 39.99
    2-methoxyethanol 323.19
    isobutyl acetate 43.25
    tetrachloromethane 10.22
    n-pentyl acetate 30.95
    transcutol 532.22
    n-heptanol 24.79
    ethylbenzene 15.47
    MIBK 70.26
    2-propoxyethanol 119.31
    tert-butanol 128.19
    MTBE 72.42
    2-butoxyethanol 70.0
    propionic acid 80.25
    o-xylene 21.22
    formic acid 168.69
    diethyl ether 93.06
    m-xylene 22.5
    p-xylene 20.29
    chlorobenzene 32.33
    dimethyl carbonate 84.14
    n-octane 1.9
    formamide 350.31
    cyclopentanone 126.66
    2-pentanone 91.87
    anisole 70.98
    cyclopentyl methyl ether 73.62
    gamma-butyrolactone 150.61
    1-methoxy-2-propanol 188.21
    pyridine 106.76
    3-pentanone 64.69
    furfural 143.35
    n-dodecane 2.47
    diethylene glycol 169.58
    diisopropyl ether 25.25
    tert-amyl alcohol 85.64
    acetylacetone 138.62
    n-hexadecane 2.76
    acetophenone 69.9
    methyl propionate 106.83
    isopentyl acetate 48.49
    trichloroethylene 139.24
    n-nonanol 26.41
    cyclohexanol 49.18
    benzyl alcohol 62.98
    2-ethylhexanol 27.71
    isooctanol 23.83
    dipropyl ether 30.2
    1,2-dichlorobenzene 34.33
    ethyl lactate 50.62
    propylene carbonate 81.68
    n-methylformamide 162.78
    2-pentanol 54.32
    n-pentane 1.6
    1-propoxy-2-propanol 71.66
    1-methoxy-2-propyl acetate 78.62
    2-(2-methoxypropoxy) propanol 94.87
    mesitylene 16.22
    ε-caprolactone 81.62
    p-cymene 14.48
    epichlorohydrin 201.34
    1,1,1-trichloroethane 43.11
    2-aminoethanol 116.38
    morpholine-4-carbaldehyde 200.4
    sulfolane 150.17
    2,2,4-trimethylpentane 2.27
    2-methyltetrahydrofuran 109.23
    n-hexyl acetate 47.25
    isooctane 2.12
    2-(2-butoxyethoxy)ethanol 125.46
    sec-butyl acetate 52.26
    tert-butyl acetate 85.55
    decalin 2.91
    glycerin 142.85
    diglyme 235.0
    acrylic acid 85.48
    isopropyl myristate 25.17
    n-butyric acid 94.38
    acetyl acetate 95.97
    di(2-ethylhexyl) phthalate 27.34
    ethyl propionate 65.67
    nitromethane 328.4
    1,2-diethoxyethane 105.6
    benzonitrile 55.89
    trioctyl phosphate 20.07
    1-bromopropane 25.72
    gamma-valerolactone 155.46
    n-decanol 21.39
    triethyl phosphate 32.1
    4-methyl-2-pentanol 38.1
    propionitrile 88.46
    vinylene carbonate 77.42
    1,1,2-trichlorotrifluoroethane 129.23
    DMS 60.78
    cumene 13.38
    2-octanol 17.45
    2-hexanone 55.74
    octyl acetate 29.44
    limonene 18.3
    1,2-dimethoxyethane 224.68
    ethyl orthosilicate 30.46
    tributyl phosphate 24.92
    diacetone alcohol 118.56
    N,N-dimethylaniline 46.11
    acrylonitrile 129.69
    aniline 57.77
    1,3-propanediol 155.37
    bromobenzene 26.99
    dibromomethane 47.38
    1,1,2,2-tetrachloroethane 87.6
    2-methyl-cyclohexyl acetate 40.05
    tetrabutyl urea 34.02
    diisobutyl methanol 22.47
    2-phenylethanol 49.49
    styrene 20.24
    dioctyl adipate 38.33
    dimethyl sulfate 106.24
    ethyl butyrate 48.5
    methyl lactate 77.91
    butyl lactate 33.35
    diethyl carbonate 40.33
    propanediol butyl ether 70.14
    triethyl orthoformate 40.73
    p-tert-butyltoluene 14.01
    methyl 4-tert-butylbenzoate 55.7
    morpholine 232.6
    tert-butylamine 47.87
    n-dodecanol 17.86
    dimethoxymethane 229.7
    ethylene carbonate 68.07
    cyrene 80.9
    2-ethoxyethyl acetate 65.94
    2-ethylhexyl acetate 34.58
    1,2,4-trichlorobenzene 40.86
    4-methylpyridine 73.41
    dibutyl ether 32.49
    2,6-dimethyl-4-heptanol 22.47
    DEF 116.97
    dimethyl isosorbide 121.91
    tetrachloroethylene 62.2
    eugenol 61.13
    triacetin 70.71
    span 80 54.47
    1,4-butanediol 62.91
    1,1-dichloroethane 55.29
    2-methyl-1-pentanol 53.58
    methyl formate 136.28
    2-methyl-1-butanol 57.09
    n-decane 3.42
    butyronitrile 71.37
    3,7-dimethyl-1-octanol 32.71
    1-chlorooctane 13.11
    1-chlorotetradecane 7.26
    n-nonane 2.83
    undecane 2.84
    tert-butylcyclohexane 2.7
    cyclooctane 2.07
    cyclopentanol 52.77
    tetrahydropyran 104.44
    tert-amyl methyl ether 55.99
    2,5,8-trioxanonane 174.9
    1-hexene 5.88
    2-isopropoxyethanol 119.79
    2,2,2-trifluoroethanol 84.16
    methyl butyrate 75.35

    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