5-Butyl-2H-1,3-benzodioxole

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C11H14O2

    SMILES
    CCCCC1=CC2=C(C=C1)OCO2

  • Odor profile

    Spicy 73.18%
    Phenolic 42.34%
    Sweet 39.99%
    Balsamic 31.25%
    Warm 30.9%
    Smoky 30.32%
    Woody 30.06%
    Animal 29.04%
    Clove 27.24%
    Herbal 26.9%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.89 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point est.
    106.37 ˚C

  • Synonyms

    • 16929-05-8
    • 1-(3,4-Methylenedioxyphenyl)butane
    • 5-Butyl-1,3-benzodioxole
    • 5-Butyl-2H-1,3-benzodioxole
    • DTXSID20515762
    • 5-Butylbenzo[d][1,3]dioxole
    • SCHEMBL4055725
    • 1-Butyl-3,4-methylendioxybenzol
    • DTXCID80466569
    • RAA92905
    • MFCD00142489
    • AKOS006274667
    • DB-080906

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1528.58
    methanol 1443.29
    isopropanol 885.9
    water 0.17
    ethyl acetate 2303.22
    n-propanol 1246.51
    acetone 2126.61
    n-butanol 969.92
    acetonitrile 1783.88
    DMF 2279.54
    toluene 529.75
    isobutanol 760.66
    1,4-dioxane 2247.25
    methyl acetate 1783.42
    THF 1861.08
    2-butanone 1594.53
    n-pentanol 564.4
    sec-butanol 778.04
    n-hexane 40.78
    ethylene glycol 465.31
    NMP 862.41
    cyclohexane 76.3
    DMSO 2546.12
    n-butyl acetate 922.52
    n-octanol 198.68
    chloroform 2932.26
    n-propyl acetate 859.03
    acetic acid 949.42
    dichloromethane 3386.15
    cyclohexanone 1292.06
    propylene glycol 591.16
    isopropyl acetate 1079.63
    DMAc 1091.75
    2-ethoxyethanol 1255.23
    isopentanol 790.61
    n-heptane 21.04
    ethyl formate 909.59
    1,2-dichloroethane 2699.18
    n-hexanol 539.18
    2-methoxyethanol 2338.29
    isobutyl acetate 531.35
    tetrachloromethane 284.75
    n-pentyl acetate 408.58
    transcutol 4461.96
    n-heptanol 174.15
    ethylbenzene 241.16
    MIBK 696.62
    2-propoxyethanol 1220.83
    tert-butanol 985.44
    MTBE 1191.51
    2-butoxyethanol 446.65
    propionic acid 882.86
    o-xylene 260.29
    formic acid 324.09
    diethyl ether 1655.33
    m-xylene 328.27
    p-xylene 281.9
    chlorobenzene 857.64
    dimethyl carbonate 724.01
    n-octane 13.83
    formamide 792.94
    cyclopentanone 1588.23
    2-pentanone 1348.15
    anisole 752.47
    cyclopentyl methyl ether 883.6
    gamma-butyrolactone 1708.93
    1-methoxy-2-propanol 1486.45
    pyridine 1622.54
    3-pentanone 947.35
    furfural 1324.94
    n-dodecane 16.58
    diethylene glycol 1172.61
    diisopropyl ether 334.96
    tert-amyl alcohol 761.23
    acetylacetone 1571.15
    n-hexadecane 19.32
    acetophenone 560.6
    methyl propionate 1577.73
    isopentyl acetate 772.4
    trichloroethylene 3685.77
    n-nonanol 169.81
    cyclohexanol 580.39
    benzyl alcohol 540.23
    2-ethylhexanol 268.52
    isooctanol 161.41
    dipropyl ether 323.13
    1,2-dichlorobenzene 713.69
    ethyl lactate 349.82
    propylene carbonate 862.9
    n-methylformamide 1303.09
    2-pentanol 602.53
    n-pentane 44.63
    1-propoxy-2-propanol 700.24
    1-methoxy-2-propyl acetate 930.18
    2-(2-methoxypropoxy) propanol 578.81
    mesitylene 191.56
    ε-caprolactone 1104.51
    p-cymene 122.51
    epichlorohydrin 2590.1
    1,1,1-trichloroethane 1496.33
    2-aminoethanol 825.96
    morpholine-4-carbaldehyde 1269.26
    sulfolane 1542.28
    2,2,4-trimethylpentane 33.54
    2-methyltetrahydrofuran 1383.14
    n-hexyl acetate 592.91
    isooctane 32.94
    2-(2-butoxyethoxy)ethanol 859.65
    sec-butyl acetate 579.15
    tert-butyl acetate 896.91
    decalin 48.45
    glycerin 709.95
    diglyme 1563.51
    acrylic acid 711.58
    isopropyl myristate 202.83
    n-butyric acid 1226.6
    acetyl acetate 910.79
    di(2-ethylhexyl) phthalate 194.62
    ethyl propionate 770.71
    nitromethane 2136.07
    1,2-diethoxyethane 1270.39
    benzonitrile 695.75
    trioctyl phosphate 136.01
    1-bromopropane 1168.01
    gamma-valerolactone 1781.56
    n-decanol 132.85
    triethyl phosphate 204.94
    4-methyl-2-pentanol 335.89
    propionitrile 1243.55
    vinylene carbonate 821.45
    1,1,2-trichlorotrifluoroethane 1371.93
    DMS 750.45
    cumene 152.52
    2-octanol 133.24
    2-hexanone 670.09
    octyl acetate 250.55
    limonene 162.43
    1,2-dimethoxyethane 1651.09
    ethyl orthosilicate 201.92
    tributyl phosphate 205.82
    diacetone alcohol 858.15
    N,N-dimethylaniline 332.64
    acrylonitrile 1535.0
    aniline 794.53
    1,3-propanediol 1041.24
    bromobenzene 997.46
    dibromomethane 2036.68
    1,1,2,2-tetrachloroethane 2744.79
    2-methyl-cyclohexyl acetate 324.93
    tetrabutyl urea 230.41
    diisobutyl methanol 168.19
    2-phenylethanol 478.95
    styrene 393.87
    dioctyl adipate 287.12
    dimethyl sulfate 746.51
    ethyl butyrate 491.84
    methyl lactate 601.62
    butyl lactate 323.2
    diethyl carbonate 366.59
    propanediol butyl ether 526.63
    triethyl orthoformate 313.49
    p-tert-butyltoluene 122.21
    methyl 4-tert-butylbenzoate 346.18
    morpholine 2731.0
    tert-butylamine 556.2
    n-dodecanol 107.54
    dimethoxymethane 1899.18
    ethylene carbonate 800.25
    cyrene 382.02
    2-ethoxyethyl acetate 814.35
    2-ethylhexyl acetate 540.77
    1,2,4-trichlorobenzene 790.91
    4-methylpyridine 1347.05
    dibutyl ether 372.79
    2,6-dimethyl-4-heptanol 168.19
    DEF 1335.3
    dimethyl isosorbide 720.31
    tetrachloroethylene 1491.25
    eugenol 394.61
    triacetin 533.88
    span 80 384.92
    1,4-butanediol 410.02
    1,1-dichloroethane 2098.29
    2-methyl-1-pentanol 512.37
    methyl formate 931.17
    2-methyl-1-butanol 748.82
    n-decane 24.93
    butyronitrile 1029.69
    3,7-dimethyl-1-octanol 251.63
    1-chlorooctane 154.72
    1-chlorotetradecane 66.85
    n-nonane 22.97
    undecane 19.57
    tert-butylcyclohexane 44.22
    cyclooctane 27.59
    cyclopentanol 563.16
    tetrahydropyran 1665.63
    tert-amyl methyl ether 671.31
    2,5,8-trioxanonane 976.34
    1-hexene 261.19
    2-isopropoxyethanol 775.12
    2,2,2-trifluoroethanol 337.45
    methyl butyrate 889.99

    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
Ottonia anisum (Brazil) Ottonia anisum Sprengel, fam. Piperaceae 95.0%