alpha-Methyl-1,3-benzodioxole-5-propanol

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C11H14O3

    SMILES
    CC(CCC1=CC2=C(C=C1)OCO2)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 78.18%
    Sweet 71.45%
    Fruity 43.16%
    Vanilla 42.32%
    Powdery 37.99%
    Balsamic 36.97%
    Spicy 34.98%
    Creamy 28.83%
    Aromatic 26.34%
    Fresh 24.77%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.41 (weak base)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Flash point est.
    138.1 ˚C

  • Synonyms

    • 4-(2H-1,3-benzodioxol-5-yl)butan-2-ol
    • 75593-13-4
    • 4-(1,3-Dioxaindan-5-yl)butan-2-ol
    • 4-(1,3-benzodioxol-5-yl)butan-2-ol
    • 4-(Benzo[d][1,3]dioxol-5-yl)butan-2-ol
    • SCHEMBL2485767
    • CHEMBL4566611
    • ADA59313
    • AKOS000248909
    • alpha-Methyl-1,3-benzodioxole-5-propanol
    • CS-0251346
    • EN300-54428
    • G36212
    • 4-(2H-1,3-Benzodioxol-5-yl)butan-2-ol, AldrichCPR
    • Z335245112
    • 106-788-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 575.74
    methanol 724.61
    isopropanol 392.78
    water 2.81
    ethyl acetate 311.6
    n-propanol 363.8
    acetone 366.18
    n-butanol 252.31
    acetonitrile 353.21
    DMF 426.38
    toluene 25.37
    isobutanol 212.73
    1,4-dioxane 599.64
    methyl acetate 310.16
    THF 362.69
    2-butanone 236.84
    n-pentanol 187.32
    sec-butanol 228.95
    n-hexane 1.57
    ethylene glycol 507.61
    NMP 118.68
    cyclohexane 3.01
    DMSO 634.27
    n-butyl acetate 100.18
    n-octanol 63.48
    chloroform 269.38
    n-propyl acetate 137.82
    acetic acid 389.9
    dichloromethane 253.38
    cyclohexanone 159.14
    propylene glycol 640.47
    isopropyl acetate 131.26
    DMAc 361.49
    2-ethoxyethanol 684.7
    isopentanol 194.93
    n-heptane 2.4
    ethyl formate 179.33
    1,2-dichloroethane 171.64
    n-hexanol 131.13
    2-methoxyethanol 1103.08
    isobutyl acetate 94.45
    tetrachloromethane 20.65
    n-pentyl acetate 55.44
    transcutol 1079.19
    n-heptanol 56.5
    ethylbenzene 20.76
    MIBK 104.4
    2-propoxyethanol 410.07
    tert-butanol 454.69
    MTBE 144.85
    2-butoxyethanol 160.74
    propionic acid 262.71
    o-xylene 23.74
    formic acid 323.74
    diethyl ether 128.98
    m-xylene 29.47
    p-xylene 29.06
    chlorobenzene 57.21
    dimethyl carbonate 112.19
    n-octane 2.27
    formamide 495.58
    cyclopentanone 190.64
    2-pentanone 157.51
    anisole 113.71
    cyclopentyl methyl ether 104.78
    gamma-butyrolactone 237.24
    1-methoxy-2-propanol 709.21
    pyridine 168.24
    3-pentanone 94.23
    furfural 259.14
    n-dodecane 3.65
    diethylene glycol 643.42
    diisopropyl ether 29.81
    tert-amyl alcohol 225.72
    acetylacetone 232.52
    n-hexadecane 3.96
    acetophenone 100.87
    methyl propionate 214.51
    isopentyl acetate 103.79
    trichloroethylene 301.17
    n-nonanol 56.85
    cyclohexanol 121.56
    benzyl alcohol 136.09
    2-ethylhexanol 57.5
    isooctanol 48.75
    dipropyl ether 43.12
    1,2-dichlorobenzene 59.06
    ethyl lactate 125.57
    propylene carbonate 148.29
    n-methylformamide 350.3
    2-pentanol 140.2
    n-pentane 1.54
    1-propoxy-2-propanol 216.06
    1-methoxy-2-propyl acetate 175.05
    2-(2-methoxypropoxy) propanol 196.91
    mesitylene 19.43
    ε-caprolactone 167.73
    p-cymene 19.46
    epichlorohydrin 374.73
    1,1,1-trichloroethane 102.26
    2-aminoethanol 623.43
    morpholine-4-carbaldehyde 368.01
    sulfolane 219.28
    2,2,4-trimethylpentane 2.98
    2-methyltetrahydrofuran 197.51
    n-hexyl acetate 93.27
    isooctane 3.02
    2-(2-butoxyethoxy)ethanol 294.3
    sec-butyl acetate 87.3
    tert-butyl acetate 127.26
    decalin 3.79
    glycerin 732.06
    diglyme 441.39
    acrylic acid 241.94
    isopropyl myristate 40.58
    n-butyric acid 276.41
    acetyl acetate 135.55
    di(2-ethylhexyl) phthalate 50.63
    ethyl propionate 107.44
    nitromethane 612.35
    1,2-diethoxyethane 202.76
    benzonitrile 108.6
    trioctyl phosphate 36.21
    1-bromopropane 54.82
    gamma-valerolactone 347.46
    n-decanol 45.67
    triethyl phosphate 46.81
    4-methyl-2-pentanol 87.29
    propionitrile 190.66
    vinylene carbonate 156.14
    1,1,2-trichlorotrifluoroethane 319.15
    DMS 116.71
    cumene 18.73
    2-octanol 38.49
    2-hexanone 107.65
    octyl acetate 52.43
    limonene 23.64
    1,2-dimethoxyethane 505.81
    ethyl orthosilicate 44.18
    tributyl phosphate 46.18
    diacetone alcohol 230.64
    N,N-dimethylaniline 59.38
    acrylonitrile 244.68
    aniline 99.42
    1,3-propanediol 664.14
    bromobenzene 50.37
    dibromomethane 119.13
    1,1,2,2-tetrachloroethane 232.36
    2-methyl-cyclohexyl acetate 67.37
    tetrabutyl urea 58.88
    diisobutyl methanol 38.13
    2-phenylethanol 109.3
    styrene 26.6
    dioctyl adipate 63.43
    dimethyl sulfate 144.76
    ethyl butyrate 71.35
    methyl lactate 198.73
    butyl lactate 77.2
    diethyl carbonate 62.99
    propanediol butyl ether 213.37
    triethyl orthoformate 60.42
    p-tert-butyltoluene 19.27
    methyl 4-tert-butylbenzoate 86.14
    morpholine 682.09
    tert-butylamine 142.87
    n-dodecanol 37.43
    dimethoxymethane 369.22
    ethylene carbonate 141.71
    cyrene 133.07
    2-ethoxyethyl acetate 128.23
    2-ethylhexyl acetate 69.1
    1,2,4-trichlorobenzene 74.68
    4-methylpyridine 136.17
    dibutyl ether 53.46
    2,6-dimethyl-4-heptanol 38.13
    DEF 154.5
    dimethyl isosorbide 205.75
    tetrachloroethylene 133.33
    eugenol 112.45
    triacetin 121.17
    span 80 125.98
    1,4-butanediol 317.18
    1,1-dichloroethane 156.95
    2-methyl-1-pentanol 130.82
    methyl formate 260.83
    2-methyl-1-butanol 155.79
    n-decane 4.88
    butyronitrile 158.92
    3,7-dimethyl-1-octanol 66.24
    1-chlorooctane 25.04
    1-chlorotetradecane 12.24
    n-nonane 4.17
    undecane 4.09
    tert-butylcyclohexane 4.01
    cyclooctane 1.66
    cyclopentanol 135.7
    tetrahydropyran 215.09
    tert-amyl methyl ether 84.56
    2,5,8-trioxanonane 342.38
    1-hexene 12.2
    2-isopropoxyethanol 365.75
    2,2,2-trifluoroethanol 172.47
    methyl butyrate 134.85

    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
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 0.02%