5-(Oct-7-EN-1-YL)-2H-1,3-benzodioxole

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C15H20O2

    SMILES
    C=CCCCCCCC1=CC2=C(C=C1)OCO2

  • Odor profile

    Spicy 51.89%
    Sweet 47.38%
    Waxy 45.2%
    Fatty 42.53%
    Floral 38.41%
    Balsamic 34.12%
    Oily 33.85%
    Woody 30.44%
    Herbal 29.28%
    Fresh 26.23%

    Scent© AI

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.53 (neutral)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point est.
    133.07 ˚C

  • Synonyms

    • 138843-06-8
    • 5-(OCT-7-EN-1-YL)-2H-1,3-BENZODIOXOLE
    • SCHEMBL7563159
    • DTXSID20596258

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2674.81
    methanol 2237.01
    isopropanol 1778.8
    water 0.06
    ethyl acetate 3184.85
    n-propanol 2301.2
    acetone 2091.31
    n-butanol 1733.12
    acetonitrile 1890.39
    DMF 1130.15
    toluene 679.39
    isobutanol 1298.01
    1,4-dioxane 3401.33
    methyl acetate 1919.92
    THF 3068.63
    2-butanone 1796.06
    n-pentanol 971.5
    sec-butanol 1498.85
    n-hexane 69.34
    ethylene glycol 299.32
    NMP 441.87
    cyclohexane 196.36
    DMSO 2096.05
    n-butyl acetate 909.75
    n-octanol 193.35
    chloroform 3319.07
    n-propyl acetate 1068.07
    acetic acid 844.33
    dichloromethane 3713.73
    cyclohexanone 1479.4
    propylene glycol 615.2
    isopropyl acetate 1469.23
    DMAc 878.43
    2-ethoxyethanol 1683.38
    isopentanol 1168.49
    n-heptane 34.72
    ethyl formate 908.96
    1,2-dichloroethane 2779.7
    n-hexanol 637.05
    2-methoxyethanol 2720.98
    isobutyl acetate 599.6
    tetrachloromethane 315.99
    n-pentyl acetate 440.45
    transcutol 4703.62
    n-heptanol 189.66
    ethylbenzene 244.51
    MIBK 785.65
    2-propoxyethanol 1320.62
    tert-butanol 1489.45
    MTBE 1875.09
    2-butoxyethanol 473.32
    propionic acid 861.87
    o-xylene 269.14
    formic acid 219.24
    diethyl ether 3613.89
    m-xylene 347.44
    p-xylene 263.26
    chlorobenzene 740.63
    dimethyl carbonate 554.3
    n-octane 20.34
    formamide 490.98
    cyclopentanone 1347.39
    2-pentanone 1664.3
    anisole 657.44
    cyclopentyl methyl ether 1277.25
    gamma-butyrolactone 1285.72
    1-methoxy-2-propanol 1923.04
    pyridine 1742.63
    3-pentanone 1120.32
    furfural 884.13
    n-dodecane 21.2
    diethylene glycol 940.08
    diisopropyl ether 563.7
    tert-amyl alcohol 1040.27
    acetylacetone 1458.52
    n-hexadecane 24.59
    acetophenone 469.97
    methyl propionate 1760.51
    isopentyl acetate 749.77
    trichloroethylene 3172.64
    n-nonanol 179.72
    cyclohexanol 953.95
    benzyl alcohol 515.5
    2-ethylhexanol 286.54
    isooctanol 177.22
    dipropyl ether 526.96
    1,2-dichlorobenzene 569.26
    ethyl lactate 349.18
    propylene carbonate 793.84
    n-methylformamide 754.58
    2-pentanol 1138.51
    n-pentane 101.25
    1-propoxy-2-propanol 776.03
    1-methoxy-2-propyl acetate 982.29
    2-(2-methoxypropoxy) propanol 516.91
    mesitylene 203.01
    ε-caprolactone 1295.94
    p-cymene 117.94
    epichlorohydrin 2530.97
    1,1,1-trichloroethane 1531.86
    2-aminoethanol 815.24
    morpholine-4-carbaldehyde 974.5
    sulfolane 1002.44
    2,2,4-trimethylpentane 48.51
    2-methyltetrahydrofuran 2102.54
    n-hexyl acetate 535.05
    isooctane 48.41
    2-(2-butoxyethoxy)ethanol 849.75
    sec-butyl acetate 712.64
    tert-butyl acetate 1050.72
    decalin 62.56
    glycerin 572.98
    diglyme 1591.04
    acrylic acid 498.71
    isopropyl myristate 212.08
    n-butyric acid 1518.59
    acetyl acetate 1051.36
    di(2-ethylhexyl) phthalate 166.15
    ethyl propionate 869.88
    nitromethane 1658.34
    1,2-diethoxyethane 1859.43
    benzonitrile 567.07
    trioctyl phosphate 122.79
    1-bromopropane 1688.42
    gamma-valerolactone 1579.28
    n-decanol 141.44
    triethyl phosphate 210.56
    4-methyl-2-pentanol 470.5
    propionitrile 1426.47
    vinylene carbonate 652.78
    1,1,2-trichlorotrifluoroethane 1097.25
    DMS 550.68
    cumene 148.19
    2-octanol 141.59
    2-hexanone 762.9
    octyl acetate 242.99
    limonene 174.6
    1,2-dimethoxyethane 2022.51
    ethyl orthosilicate 220.81
    tributyl phosphate 179.68
    diacetone alcohol 887.16
    N,N-dimethylaniline 277.66
    acrylonitrile 1235.81
    aniline 784.64
    1,3-propanediol 1236.86
    bromobenzene 832.21
    dibromomethane 2276.3
    1,1,2,2-tetrachloroethane 2656.19
    2-methyl-cyclohexyl acetate 324.16
    tetrabutyl urea 201.12
    diisobutyl methanol 201.17
    2-phenylethanol 416.3
    styrene 364.7
    dioctyl adipate 281.2
    dimethyl sulfate 471.79
    ethyl butyrate 553.62
    methyl lactate 496.73
    butyl lactate 304.44
    diethyl carbonate 370.9
    propanediol butyl ether 432.42
    triethyl orthoformate 371.69
    p-tert-butyltoluene 114.58
    methyl 4-tert-butylbenzoate 307.21
    morpholine 4167.49
    tert-butylamine 865.38
    n-dodecanol 114.64
    dimethoxymethane 2128.27
    ethylene carbonate 740.03
    cyrene 310.57
    2-ethoxyethyl acetate 845.84
    2-ethylhexyl acetate 524.89
    1,2,4-trichlorobenzene 580.45
    4-methylpyridine 1281.4
    dibutyl ether 450.15
    2,6-dimethyl-4-heptanol 201.17
    DEF 1287.84
    dimethyl isosorbide 660.03
    tetrachloroethylene 1484.95
    eugenol 308.31
    triacetin 508.24
    span 80 370.28
    1,4-butanediol 449.99
    1,1-dichloroethane 2432.14
    2-methyl-1-pentanol 721.02
    methyl formate 536.99
    2-methyl-1-butanol 1133.71
    n-decane 32.92
    butyronitrile 1405.51
    3,7-dimethyl-1-octanol 253.93
    1-chlorooctane 162.76
    1-chlorotetradecane 69.84
    n-nonane 30.89
    undecane 25.43
    tert-butylcyclohexane 51.63
    cyclooctane 52.2
    cyclopentanol 779.84
    tetrahydropyran 3444.77
    tert-amyl methyl ether 915.64
    2,5,8-trioxanonane 970.6
    1-hexene 420.4
    2-isopropoxyethanol 1033.07
    2,2,2-trifluoroethanol 241.21
    methyl butyrate 1001.51

    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 2.13%