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

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  • Identifiers

    CAS number
    92-42-2

    Molecular formula
    C12H16O2

    SMILES
    CCOC1=C(C=CC(=C1)C=CC)OC

  • Odor profile

    Fragrance
    Spicy 84.66%
    Sweet 77.16%
    Floral 70.45%
    Clove 57.62%
    Balsamic 50.6%
    Woody 47.53%
    Warm 45.52%
    Vanilla 44.71%
    Powdery 42.14%
    Anisic 38.42%

     

    Flavor
    Bitter 50.2%
    Floral 44.66%
    Spicy 44.13%
    Sweet 42.6%
    Balsam 38.03%
    Spice 37.84%
    Flower 34.88%
    Anise 32.86%
    Clove 31.6%
    Green 30.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.54 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    276°C

    Flash point

    • 103.0 ˚C est.

  • Synonyms

    • 2-Ethoxy-1-methoxy-4-(1-propen-1-yl)benzene
    • SCHEMBL7193653
    • DTXSID701262408
    • 92-42-2

  • Applications

    2-Ethoxy-1-methoxy-4-(1-propen-1-yl)benzene (CAS 92-42-2) is an anisole-derived aromatic compound used primarily as a fragrance ingredient, contributing distinctive aroma notes in perfumery and often serving as a component in cosmetics and personal care products; it may also act as an intermediate in the synthesis of more complex aroma chemicals and can function as a solvent or carrier for fragrance blends in household formulations. The allyl substituent enables chemical modification or crosslinking in polymer, coatings, and ink formulations, so the compound may be encountered as a reactive intermediate or specialty additive in those sectors. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1259.38
    methanol 1132.44
    isopropanol 808.8
    water 0.64
    ethyl acetate 2204.88
    n-propanol 998.98
    acetone 2696.39
    n-butanol 991.84
    acetonitrile 2169.81
    DMF 1985.56
    toluene 921.29
    isobutanol 761.38
    1,4-dioxane 2852.85
    methyl acetate 1893.71
    THF 2585.33
    2-butanone 1538.98
    n-pentanol 704.01
    sec-butanol 807.5
    n-hexane 299.95
    ethylene glycol 317.27
    NMP 1505.06
    cyclohexane 868.83
    DMSO 2508.65
    n-butyl acetate 1361.25
    n-octanol 365.99
    chloroform 5972.92
    n-propyl acetate 1109.72
    acetic acid 1725.42
    dichloromethane 7296.34
    cyclohexanone 2373.7
    propylene glycol 356.53
    isopropyl acetate 876.27
    DMAc 1125.29
    2-ethoxyethanol 1010.44
    isopentanol 752.46
    n-heptane 232.92
    ethyl formate 1351.24
    1,2-dichloroethane 4887.63
    n-hexanol 815.31
    2-methoxyethanol 1579.09
    isobutyl acetate 565.0
    tetrachloromethane 1201.44
    n-pentyl acetate 607.63
    transcutol 2036.81
    n-heptanol 318.38
    ethylbenzene 470.36
    MIBK 617.3
    2-propoxyethanol 1035.05
    tert-butanol 1109.75
    MTBE 1213.08
    2-butoxyethanol 527.99
    propionic acid 1060.31
    o-xylene 457.65
    formic acid 374.58
    diethyl ether 2065.52
    m-xylene 521.09
    p-xylene 531.86
    chlorobenzene 1657.4
    dimethyl carbonate 714.87
    n-octane 94.94
    formamide 773.45
    cyclopentanone 2249.49
    2-pentanone 1378.53
    anisole 880.3
    cyclopentyl methyl ether 1391.73
    gamma-butyrolactone 2404.49
    1-methoxy-2-propanol 1016.03
    pyridine 2342.68
    3-pentanone 1112.28
    furfural 1964.57
    n-dodecane 69.06
    diethylene glycol 751.06
    diisopropyl ether 431.91
    tert-amyl alcohol 842.07
    acetylacetone 1371.28
    n-hexadecane 80.5
    acetophenone 723.37
    methyl propionate 1491.24
    isopentyl acetate 887.55
    trichloroethylene 6953.63
    n-nonanol 318.63
    cyclohexanol 1259.33
    benzyl alcohol 690.35
    2-ethylhexanol 510.17
    isooctanol 265.87
    dipropyl ether 762.96
    1,2-dichlorobenzene 1350.15
    ethyl lactate 390.18
    propylene carbonate 1484.1
    n-methylformamide 1167.36
    2-pentanol 649.74
    n-pentane 305.15
    1-propoxy-2-propanol 691.27
    1-methoxy-2-propyl acetate 796.44
    2-(2-methoxypropoxy) propanol 446.5
    mesitylene 335.97
    ε-caprolactone 1684.7
    p-cymene 285.9
    epichlorohydrin 3280.78
    1,1,1-trichloroethane 3783.81
    2-aminoethanol 503.66
    morpholine-4-carbaldehyde 1552.04
    sulfolane 2480.96
    2,2,4-trimethylpentane 124.19
    2-methyltetrahydrofuran 1980.45
    n-hexyl acetate 821.1
    isooctane 92.88
    2-(2-butoxyethoxy)ethanol 669.74
    sec-butyl acetate 570.27
    tert-butyl acetate 773.85
    decalin 233.84
    glycerin 457.0
    diglyme 1453.63
    acrylic acid 947.97
    isopropyl myristate 320.81
    n-butyric acid 1475.77
    acetyl acetate 1267.13
    di(2-ethylhexyl) phthalate 255.58
    ethyl propionate 911.88
    nitromethane 2823.12
    1,2-diethoxyethane 1197.34
    benzonitrile 1031.65
    trioctyl phosphate 212.39
    1-bromopropane 2492.04
    gamma-valerolactone 2023.99
    n-decanol 244.81
    triethyl phosphate 352.39
    4-methyl-2-pentanol 302.4
    propionitrile 1412.67
    vinylene carbonate 1403.0
    1,1,2-trichlorotrifluoroethane 1868.55
    DMS 746.96
    cumene 286.99
    2-octanol 241.63
    2-hexanone 836.74
    octyl acetate 416.62
    limonene 455.09
    1,2-dimethoxyethane 1767.47
    ethyl orthosilicate 348.12
    tributyl phosphate 291.4
    diacetone alcohol 664.1
    N,N-dimethylaniline 476.36
    acrylonitrile 1566.1
    aniline 1008.08
    1,3-propanediol 740.56
    bromobenzene 1972.75
    dibromomethane 4722.67
    1,1,2,2-tetrachloroethane 5205.28
    2-methyl-cyclohexyl acetate 515.09
    tetrabutyl urea 345.94
    diisobutyl methanol 267.04
    2-phenylethanol 616.86
    styrene 721.41
    dioctyl adipate 450.16
    dimethyl sulfate 888.9
    ethyl butyrate 894.94
    methyl lactate 486.88
    butyl lactate 381.19
    diethyl carbonate 651.3
    propanediol butyl ether 431.4
    triethyl orthoformate 516.46
    p-tert-butyltoluene 265.88
    methyl 4-tert-butylbenzoate 476.67
    morpholine 2939.86
    tert-butylamine 756.03
    n-dodecanol 200.86
    dimethoxymethane 1631.77
    ethylene carbonate 1255.86
    cyrene 471.79
    2-ethoxyethyl acetate 770.35
    2-ethylhexyl acetate 736.96
    1,2,4-trichlorobenzene 1466.5
    4-methylpyridine 1837.19
    dibutyl ether 643.86
    2,6-dimethyl-4-heptanol 267.04
    DEF 1462.29
    dimethyl isosorbide 757.21
    tetrachloroethylene 3339.76
    eugenol 449.96
    triacetin 645.73
    span 80 422.12
    1,4-butanediol 362.45
    1,1-dichloroethane 3980.92
    2-methyl-1-pentanol 587.68
    methyl formate 1222.9
    2-methyl-1-butanol 764.65
    n-decane 113.29
    butyronitrile 1431.79
    3,7-dimethyl-1-octanol 337.13
    1-chlorooctane 425.45
    1-chlorotetradecane 171.1
    n-nonane 123.77
    undecane 84.4
    tert-butylcyclohexane 177.6
    cyclooctane 242.96
    cyclopentanol 1087.67
    tetrahydropyran 2945.06
    tert-amyl methyl ether 733.61
    2,5,8-trioxanonane 838.94
    1-hexene 691.31
    2-isopropoxyethanol 687.43
    2,2,2-trifluoroethanol 520.46
    methyl butyrate 1231.58

    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