1-Butoxy-2-methoxy-4-(1-propen-1-yl)benzene

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  • Identifiers

    CAS number
    115422-59-8

    Molecular formula
    C14H20O2

    SMILES
    CCCCOC1=C(C=C(C=C1)C=CC)OC

  • Odor profile

    Fragrance
    Spicy 82.11%
    Floral 78.22%
    Sweet 72.37%
    Balsamic 57.91%
    Clove 51.72%
    Vanilla 45.56%
    Warm 42.68%
    Powdery 38.66%
    Anisic 36.37%
    Woody 36.23%

     

    Flavor
    Spicy 45.59%
    Floral 39.56%
    Bitter 39.05%
    Balsam 38.87%
    Sweet 36.54%
    Spice 34.49%
    Green 32.01%
    Flower 30.69%
    Clove 28.66%
    Anise 28.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.76 (neutral)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point

    • 118.5 ˚C est.

  • Synonyms

    • 1-Butoxy-2-methoxy-4-(1-propen-1-yl)benzene
    • 115422-59-8
    • Isoeugenyl butyl ether
    • SCHEMBL18035639
    • DTXSID501261080
    • Benzene,1-butoxy-2-methoxy-4-(1-propenyl)-

  • Applications

    1-Butoxy-2-methoxy-4-(1-propen-1-yl)benzene (CAS 115422-59-8) is primarily used as a fragrance ingredient in perfumery, contributing specific aromatic notes; it may be evaluated for flavor/aroma applications in food processing; in cosmetics and personal care, it can serve as a fragrance additive in creams, lotions, soaps, and hair care products; in household products, it may act as an odorant and scent component in cleaners, detergents, and air fresheners; in industrial manufacturing, it can function as an intermediate or solvent for the synthesis of fragrance-related materials and related aromatic compounds, with use subject to regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3797.79
    methanol 2899.24
    isopropanol 2575.69
    water 0.42
    ethyl acetate 8850.83
    n-propanol 3292.51
    acetone 8639.68
    n-butanol 3405.81
    acetonitrile 6974.3
    DMF 4972.16
    toluene 2898.87
    isobutanol 2546.74
    1,4-dioxane 6491.91
    methyl acetate 6101.43
    THF 5502.39
    2-butanone 5575.34
    n-pentanol 1882.95
    sec-butanol 2688.09
    n-hexane 884.4
    ethylene glycol 543.23
    NMP 3565.27
    cyclohexane 2472.83
    DMSO 6577.75
    n-butyl acetate 4339.45
    n-octanol 798.66
    chloroform 15584.05
    n-propyl acetate 3615.45
    acetic acid 4375.99
    dichloromethane 19194.27
    cyclohexanone 7275.35
    propylene glycol 778.52
    isopropyl acetate 3533.5
    DMAc 2819.13
    2-ethoxyethanol 2530.92
    isopentanol 2599.6
    n-heptane 428.29
    ethyl formate 3512.91
    1,2-dichloroethane 15190.93
    n-hexanol 2204.16
    2-methoxyethanol 4365.81
    isobutyl acetate 1676.1
    tetrachloromethane 2694.05
    n-pentyl acetate 1787.34
    transcutol 6356.45
    n-heptanol 723.93
    ethylbenzene 1260.63
    MIBK 2085.2
    2-propoxyethanol 2587.06
    tert-butanol 3360.73
    MTBE 4422.23
    2-butoxyethanol 1263.52
    propionic acid 2960.79
    o-xylene 1263.98
    formic acid 754.39
    diethyl ether 7842.52
    m-xylene 1474.87
    p-xylene 1387.81
    chlorobenzene 4779.02
    dimethyl carbonate 2009.56
    n-octane 180.45
    formamide 1718.85
    cyclopentanone 6115.21
    2-pentanone 5158.18
    anisole 2247.8
    cyclopentyl methyl ether 4098.06
    gamma-butyrolactone 5810.74
    1-methoxy-2-propanol 2862.0
    pyridine 6463.67
    3-pentanone 4155.28
    furfural 4440.52
    n-dodecane 110.97
    diethylene glycol 1615.44
    diisopropyl ether 1652.32
    tert-amyl alcohol 2746.3
    acetylacetone 4730.72
    n-hexadecane 135.47
    acetophenone 1832.18
    methyl propionate 5195.62
    isopentyl acetate 2786.99
    trichloroethylene 20629.96
    n-nonanol 682.15
    cyclohexanol 3856.67
    benzyl alcohol 1712.0
    2-ethylhexanol 1304.57
    isooctanol 622.73
    dipropyl ether 2154.12
    1,2-dichlorobenzene 3757.95
    ethyl lactate 949.51
    propylene carbonate 3545.98
    n-methylformamide 2810.52
    2-pentanol 2604.06
    n-pentane 895.69
    1-propoxy-2-propanol 1870.48
    1-methoxy-2-propyl acetate 2376.7
    2-(2-methoxypropoxy) propanol 958.64
    mesitylene 889.0
    ε-caprolactone 5171.11
    p-cymene 604.31
    epichlorohydrin 9066.18
    1,1,1-trichloroethane 10855.06
    2-aminoethanol 1151.96
    morpholine-4-carbaldehyde 3342.33
    sulfolane 5755.66
    2,2,4-trimethylpentane 335.99
    2-methyltetrahydrofuran 5449.79
    n-hexyl acetate 2217.96
    isooctane 261.46
    2-(2-butoxyethoxy)ethanol 1572.57
    sec-butyl acetate 1940.74
    tert-butyl acetate 2890.15
    decalin 563.14
    glycerin 873.22
    diglyme 3353.48
    acrylic acid 2374.58
    isopropyl myristate 753.57
    n-butyric acid 5156.76
    acetyl acetate 4421.74
    di(2-ethylhexyl) phthalate 508.69
    ethyl propionate 3093.73
    nitromethane 7959.81
    1,2-diethoxyethane 3654.27
    benzonitrile 2632.3
    trioctyl phosphate 432.14
    1-bromopropane 7960.45
    gamma-valerolactone 5572.46
    n-decanol 484.93
    triethyl phosphate 737.73
    4-methyl-2-pentanol 1025.68
    propionitrile 4346.14
    vinylene carbonate 3248.78
    1,1,2-trichlorotrifluoroethane 4789.18
    DMS 1912.82
    cumene 665.17
    2-octanol 578.53
    2-hexanone 2676.24
    octyl acetate 936.9
    limonene 1050.25
    1,2-dimethoxyethane 4294.14
    ethyl orthosilicate 747.75
    tributyl phosphate 662.32
    diacetone alcohol 2153.05
    N,N-dimethylaniline 1088.95
    acrylonitrile 4615.07
    aniline 3113.23
    1,3-propanediol 1990.45
    bromobenzene 5915.59
    dibromomethane 12784.17
    1,1,2,2-tetrachloroethane 15503.15
    2-methyl-cyclohexyl acetate 1187.1
    tetrabutyl urea 752.05
    diisobutyl methanol 664.95
    2-phenylethanol 1520.95
    styrene 1968.5
    dioctyl adipate 991.34
    dimethyl sulfate 2150.42
    ethyl butyrate 2440.98
    methyl lactate 1254.44
    butyl lactate 1013.81
    diethyl carbonate 1529.58
    propanediol butyl ether 1043.92
    triethyl orthoformate 1239.33
    p-tert-butyltoluene 525.71
    methyl 4-tert-butylbenzoate 998.73
    morpholine 7679.54
    tert-butylamine 2362.46
    n-dodecanol 377.26
    dimethoxymethane 4153.52
    ethylene carbonate 3124.55
    cyrene 889.72
    2-ethoxyethyl acetate 2278.75
    2-ethylhexyl acetate 2205.23
    1,2,4-trichlorobenzene 3803.39
    4-methylpyridine 5524.68
    dibutyl ether 1739.9
    2,6-dimethyl-4-heptanol 664.95
    DEF 5069.11
    dimethyl isosorbide 1574.66
    tetrachloroethylene 9374.87
    eugenol 927.23
    triacetin 1511.8
    span 80 938.67
    1,4-butanediol 764.58
    1,1-dichloroethane 12727.49
    2-methyl-1-pentanol 1770.23
    methyl formate 2551.38
    2-methyl-1-butanol 2796.38
    n-decane 205.13
    butyronitrile 4682.87
    3,7-dimethyl-1-octanol 813.97
    1-chlorooctane 968.87
    1-chlorotetradecane 324.07
    n-nonane 226.87
    undecane 143.8
    tert-butylcyclohexane 413.32
    cyclooctane 649.83
    cyclopentanol 2501.94
    tetrahydropyran 8629.79
    tert-amyl methyl ether 2529.65
    2,5,8-trioxanonane 1760.54
    1-hexene 2246.25
    2-isopropoxyethanol 1742.37
    2,2,2-trifluoroethanol 1203.68
    methyl butyrate 3905.83

    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