5-(4,4-Dimethylhex-5-en-1-yl)-2H-1,3-benzodioxole

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  • Identifiers

    CAS number
    30310-56-6

    Molecular formula
    C15H20O2

    SMILES
    CC(C)(CCCC1=CC2=C(C=C1)OCO2)C=C

    Safety labels

  • Odor profile

    Fragrance
    Woody 52.95%
    Spicy 50.17%
    Floral 42.0%
    Sweet 34.21%
    Balsamic 33.67%
    Dry 29.75%
    Fresh 27.95%
    Amber 26.46%
    Powdery 26.23%
    Herbal 25.55%

     

    Flavor
    Woody 47.63%
    Spice 37.95%
    Wood 29.26%
    Herbal 27.98%
    Warm 25.69%
    Balsam 23.66%
    Camphor 21.53%
    Spicy 20.4%
    Thymol 20.23%
    Parsley 20.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    8.0 (weak base)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    301°C

    Flash point

    • 128.46 ˚C est.

  • Synonyms

    • 30310-56-6
    • 5-(4,4-Dimethylhex-5-en-1-yl)-2H-1,3-benzodioxole
    • DTXSID40785061
    • 5-(4,4-Dimethyl-5-hexenyl)-1,3-benzodioxole, 9CI
    • 6-[(3,4-Methylenedioxy)phenyl]-3,3-dimethyl-1-hexene
    • 30310-56-6

  • Applications

    Chemical name: 5-(4,4-Dimethylhex-5-en-1-yl)-2H-1,3-benzodioxole (CAS number: 30310-56-6) finds practical use primarily as a fragrance ingredient and aroma chemical, serving as a building block and intermediate for the synthesis of more complex fragrance compounds; it may be used in cosmetics and personal care formulations to contribute scent; it is also employed in household products to impart odor; in industrial manufacturing it can function as an intermediate for polymer and plastics systems; and in coatings and inks it may be employed as a fragrance additive or processing intermediate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6596.51
    methanol 4650.29
    isopropanol 4435.48
    water 0.4
    ethyl acetate 6699.67
    n-propanol 4779.19
    acetone 1816.7
    n-butanol 4146.87
    acetonitrile 2581.39
    DMF 1184.99
    toluene 992.92
    isobutanol 2556.89
    1,4-dioxane 5873.58
    methyl acetate 2939.99
    THF 3914.51
    2-butanone 2350.29
    n-pentanol 1898.17
    sec-butanol 3600.17
    n-hexane 105.21
    ethylene glycol 496.34
    NMP 221.06
    cyclohexane 204.26
    DMSO 971.72
    n-butyl acetate 1456.46
    n-octanol 363.51
    chloroform 3507.19
    n-propyl acetate 1510.47
    acetic acid 1140.86
    dichloromethane 2869.5
    cyclohexanone 1098.66
    propylene glycol 1376.41
    isopropyl acetate 2960.62
    DMAc 1078.19
    2-ethoxyethanol 3882.56
    isopentanol 2424.38
    n-heptane 64.46
    ethyl formate 1402.67
    1,2-dichloroethane 2210.73
    n-hexanol 1615.84
    2-methoxyethanol 6365.62
    isobutyl acetate 876.34
    tetrachloromethane 306.87
    n-pentyl acetate 516.21
    transcutol 8517.72
    n-heptanol 359.94
    ethylbenzene 347.14
    MIBK 1322.3
    2-propoxyethanol 3588.73
    tert-butanol 3328.06
    MTBE 4192.03
    2-butoxyethanol 927.13
    propionic acid 1198.59
    o-xylene 355.51
    formic acid 405.35
    diethyl ether 7297.11
    m-xylene 603.47
    p-xylene 348.58
    chlorobenzene 721.83
    dimethyl carbonate 853.41
    n-octane 31.72
    formamide 930.36
    cyclopentanone 883.9
    2-pentanone 2555.5
    anisole 1134.04
    cyclopentyl methyl ether 1783.58
    gamma-butyrolactone 1054.13
    1-methoxy-2-propanol 5025.87
    pyridine 1893.11
    3-pentanone 1499.98
    furfural 867.35
    n-dodecane 30.49
    diethylene glycol 2212.76
    diisopropyl ether 1410.19
    tert-amyl alcohol 2396.82
    acetylacetone 1840.89
    n-hexadecane 34.88
    acetophenone 575.28
    methyl propionate 3041.22
    isopentyl acetate 1206.51
    trichloroethylene 2496.08
    n-nonanol 346.76
    cyclohexanol 1307.61
    benzyl alcohol 795.54
    2-ethylhexanol 584.67
    isooctanol 305.41
    dipropyl ether 1202.59
    1,2-dichlorobenzene 518.42
    ethyl lactate 570.78
    propylene carbonate 780.78
    n-methylformamide 1160.31
    2-pentanol 2927.03
    n-pentane 203.35
    1-propoxy-2-propanol 2038.75
    1-methoxy-2-propyl acetate 2126.56
    2-(2-methoxypropoxy) propanol 970.87
    mesitylene 309.32
    ε-caprolactone 1315.44
    p-cymene 161.93
    epichlorohydrin 2634.01
    1,1,1-trichloroethane 1490.66
    2-aminoethanol 1808.04
    morpholine-4-carbaldehyde 1489.85
    sulfolane 507.9
    2,2,4-trimethylpentane 79.39
    2-methyltetrahydrofuran 2869.59
    n-hexyl acetate 769.39
    isooctane 104.26
    2-(2-butoxyethoxy)ethanol 1773.56
    sec-butyl acetate 1243.49
    tert-butyl acetate 2046.2
    decalin 77.96
    glycerin 1105.6
    diglyme 2886.9
    acrylic acid 541.32
    isopropyl myristate 323.88
    n-butyric acid 2608.29
    acetyl acetate 1626.08
    di(2-ethylhexyl) phthalate 206.07
    ethyl propionate 1657.98
    nitromethane 1736.62
    1,2-diethoxyethane 3568.33
    benzonitrile 655.81
    trioctyl phosphate 151.17
    1-bromopropane 1893.97
    gamma-valerolactone 1747.72
    n-decanol 274.84
    triethyl phosphate 282.3
    4-methyl-2-pentanol 1216.91
    propionitrile 2231.59
    vinylene carbonate 746.77
    1,1,2-trichlorotrifluoroethane 1139.47
    DMS 801.07
    cumene 204.96
    2-octanol 242.15
    2-hexanone 931.34
    octyl acetate 371.56
    limonene 235.24
    1,2-dimethoxyethane 3778.19
    ethyl orthosilicate 333.95
    tributyl phosphate 238.71
    diacetone alcohol 1727.56
    N,N-dimethylaniline 432.76
    acrylonitrile 1587.3
    aniline 1171.34
    1,3-propanediol 3084.84
    bromobenzene 761.89
    dibromomethane 1919.67
    1,1,2,2-tetrachloroethane 2268.2
    2-methyl-cyclohexyl acetate 446.8
    tetrabutyl urea 222.83
    diisobutyl methanol 357.58
    2-phenylethanol 753.81
    styrene 478.45
    dioctyl adipate 384.5
    dimethyl sulfate 443.82
    ethyl butyrate 943.82
    methyl lactate 945.26
    butyl lactate 394.89
    diethyl carbonate 580.32
    propanediol butyl ether 789.25
    triethyl orthoformate 628.69
    p-tert-butyltoluene 175.12
    methyl 4-tert-butylbenzoate 393.8
    morpholine 7292.88
    tert-butylamine 1985.88
    n-dodecanol 216.31
    dimethoxymethane 3985.28
    ethylene carbonate 854.13
    cyrene 405.54
    2-ethoxyethyl acetate 1315.83
    2-ethylhexyl acetate 816.44
    1,2,4-trichlorobenzene 520.06
    4-methylpyridine 1582.51
    dibutyl ether 775.9
    2,6-dimethyl-4-heptanol 357.58
    DEF 1811.85
    dimethyl isosorbide 1099.11
    tetrachloroethylene 1174.8
    eugenol 414.12
    triacetin 732.59
    span 80 600.7
    1,4-butanediol 983.77
    1,1-dichloroethane 2527.09
    2-methyl-1-pentanol 1258.52
    methyl formate 677.01
    2-methyl-1-butanol 2166.57
    n-decane 50.13
    butyronitrile 2487.69
    3,7-dimethyl-1-octanol 535.36
    1-chlorooctane 225.53
    1-chlorotetradecane 98.19
    n-nonane 47.07
    undecane 37.26
    tert-butylcyclohexane 78.87
    cyclooctane 70.48
    cyclopentanol 926.68
    tetrahydropyran 4888.97
    tert-amyl methyl ether 2076.13
    2,5,8-trioxanonane 1834.47
    1-hexene 591.43
    2-isopropoxyethanol 2298.83
    2,2,2-trifluoroethanol 313.32
    methyl butyrate 1446.61

    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