3-(ethoxymethoxy)prop-1-enylbenzene

  • Identifiers

    Molecular formula
    C12H16O2

    SMILES
    CCOCOCC=CC1=CC=CC=C1

  • Odor profile

    Fragrance
    Green 81.18%
    Sweet 67.13%
    Spicy 66.89%
    Cinnamon 54.82%
    Floral 52.35%
    Balsamic 51.53%
    Fruity 50.93%
    Herbal 49.18%
    Hyacinth 44.28%
    Fresh 42.41%

     

    Flavor
    Green 59.49%
    Floral 54.59%
    Hyacinth 40.81%
    Rose 40.51%
    Bitter 37.05%
    Spicy 36.86%
    Balsam 34.28%
    Fruity 33.68%
    Sweet 32.06%
    Honey 29.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.07 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 121.02 ˚C est.

  • Applications

    3-(ethoxymethoxy)prop-1-enylbenzene is primarily used as an intermediate in fragrance and flavor chemistry, where its aryl-propene framework and the ethoxymethoxy protective group enable selective synthesis of aroma compounds. It is commonly evaluated as a protected aldehyde building block in cosmetic and personal care formulation development and as a reactive intermediate for coatings and inks where further functionalization is possible. The compound may serve as a precursor for specialty polymers or polymer blends, enabling incorporation of aromatic and functional groups into materials. It can also be considered for household and cleaning product formulations that rely on specific fragrance release profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 850.93
    methanol 735.0
    isopropanol 554.04
    water 0.37
    ethyl acetate 1160.05
    n-propanol 626.02
    acetone 880.42
    n-butanol 573.89
    acetonitrile 927.86
    DMF 405.73
    toluene 464.32
    isobutanol 395.92
    1,4-dioxane 1435.31
    methyl acetate 792.21
    THF 1140.84
    2-butanone 715.27
    n-pentanol 431.72
    sec-butanol 521.85
    n-hexane 128.72
    ethylene glycol 150.0
    NMP 284.85
    cyclohexane 269.19
    DMSO 1519.99
    n-butyl acetate 553.61
    n-octanol 120.97
    chloroform 3105.96
    n-propyl acetate 562.52
    acetic acid 808.41
    dichloromethane 3558.48
    cyclohexanone 705.01
    propylene glycol 258.46
    isopropyl acetate 426.01
    DMAc 452.69
    2-ethoxyethanol 681.01
    isopentanol 411.6
    n-heptane 90.57
    ethyl formate 389.46
    1,2-dichloroethane 2174.78
    n-hexanol 398.3
    2-methoxyethanol 806.56
    isobutyl acetate 299.46
    tetrachloromethane 337.06
    n-pentyl acetate 219.55
    transcutol 1869.03
    n-heptanol 123.6
    ethylbenzene 201.79
    MIBK 299.94
    2-propoxyethanol 566.7
    tert-butanol 630.15
    MTBE 594.59
    2-butoxyethanol 259.16
    propionic acid 492.89
    o-xylene 216.48
    formic acid 164.74
    diethyl ether 1266.1
    m-xylene 221.83
    p-xylene 215.07
    chlorobenzene 533.07
    dimethyl carbonate 220.04
    n-octane 27.33
    formamide 272.29
    cyclopentanone 629.84
    2-pentanone 583.64
    anisole 392.92
    cyclopentyl methyl ether 597.93
    gamma-butyrolactone 730.21
    1-methoxy-2-propanol 542.85
    pyridine 1067.97
    3-pentanone 501.95
    furfural 616.97
    n-dodecane 19.87
    diethylene glycol 389.15
    diisopropyl ether 216.49
    tert-amyl alcohol 485.66
    acetylacetone 556.56
    n-hexadecane 22.73
    acetophenone 312.09
    methyl propionate 625.21
    isopentyl acetate 388.37
    trichloroethylene 2832.58
    n-nonanol 113.98
    cyclohexanol 465.91
    benzyl alcohol 294.48
    2-ethylhexanol 236.57
    isooctanol 109.71
    dipropyl ether 464.55
    1,2-dichlorobenzene 439.81
    ethyl lactate 195.79
    propylene carbonate 432.67
    n-methylformamide 278.44
    2-pentanol 406.32
    n-pentane 126.29
    1-propoxy-2-propanol 404.93
    1-methoxy-2-propyl acetate 387.28
    2-(2-methoxypropoxy) propanol 271.7
    mesitylene 138.35
    ε-caprolactone 591.87
    p-cymene 114.61
    epichlorohydrin 1335.12
    1,1,1-trichloroethane 1329.96
    2-aminoethanol 300.48
    morpholine-4-carbaldehyde 509.92
    sulfolane 800.53
    2,2,4-trimethylpentane 49.35
    2-methyltetrahydrofuran 926.78
    n-hexyl acetate 278.68
    isooctane 35.19
    2-(2-butoxyethoxy)ethanol 393.45
    sec-butyl acetate 314.55
    tert-butyl acetate 381.72
    decalin 80.86
    glycerin 261.27
    diglyme 801.25
    acrylic acid 366.69
    isopropyl myristate 121.14
    n-butyric acid 663.9
    acetyl acetate 514.66
    di(2-ethylhexyl) phthalate 106.45
    ethyl propionate 431.72
    nitromethane 1030.66
    1,2-diethoxyethane 715.59
    benzonitrile 342.01
    trioctyl phosphate 74.64
    1-bromopropane 1264.11
    gamma-valerolactone 656.82
    n-decanol 87.44
    triethyl phosphate 172.86
    4-methyl-2-pentanol 169.33
    propionitrile 601.81
    vinylene carbonate 389.38
    1,1,2-trichlorotrifluoroethane 811.44
    DMS 278.66
    cumene 124.26
    2-octanol 78.25
    2-hexanone 434.38
    octyl acetate 138.66
    limonene 181.78
    1,2-dimethoxyethane 886.96
    ethyl orthosilicate 174.48
    tributyl phosphate 110.11
    diacetone alcohol 339.86
    N,N-dimethylaniline 223.53
    acrylonitrile 590.47
    aniline 474.69
    1,3-propanediol 385.51
    bromobenzene 635.08
    dibromomethane 2403.77
    1,1,2,2-tetrachloroethane 2333.53
    2-methyl-cyclohexyl acetate 249.87
    tetrabutyl urea 135.75
    diisobutyl methanol 134.3
    2-phenylethanol 249.2
    styrene 297.45
    dioctyl adipate 191.56
    dimethyl sulfate 299.29
    ethyl butyrate 425.77
    methyl lactate 198.22
    butyl lactate 166.26
    diethyl carbonate 293.72
    propanediol butyl ether 214.18
    triethyl orthoformate 267.41
    p-tert-butyltoluene 104.94
    methyl 4-tert-butylbenzoate 215.98
    morpholine 1512.62
    tert-butylamine 418.52
    n-dodecanol 72.1
    dimethoxymethane 610.28
    ethylene carbonate 360.78
    cyrene 227.25
    2-ethoxyethyl acetate 335.47
    2-ethylhexyl acetate 303.03
    1,2,4-trichlorobenzene 524.11
    4-methylpyridine 730.16
    dibutyl ether 292.96
    2,6-dimethyl-4-heptanol 134.3
    DEF 591.47
    dimethyl isosorbide 395.29
    tetrachloroethylene 1402.21
    eugenol 221.22
    triacetin 314.77
    span 80 228.58
    1,4-butanediol 190.99
    1,1-dichloroethane 1758.08
    2-methyl-1-pentanol 341.04
    methyl formate 236.19
    2-methyl-1-butanol 414.78
    n-decane 34.43
    butyronitrile 587.46
    3,7-dimethyl-1-octanol 143.22
    1-chlorooctane 135.17
    1-chlorotetradecane 53.32
    n-nonane 35.73
    undecane 24.56
    tert-butylcyclohexane 64.18
    cyclooctane 74.32
    cyclopentanol 344.18
    tetrahydropyran 1457.61
    tert-amyl methyl ether 396.98
    2,5,8-trioxanonane 514.25
    1-hexene 422.61
    2-isopropoxyethanol 439.19
    2,2,2-trifluoroethanol 197.63
    methyl butyrate 552.74

    Scent© AI

1 of 3
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