1-Benzyloxy-2-methoxy-4-(1-propenyl)benzene

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  • Identifiers

    CAS number
    120-11-6

    Molecular formula
    C17H18O2

    SMILES
    CC=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Floral 81.19%
    Spicy 80.88%
    Balsamic 64.03%
    Sweet 61.96%
    Clove 43.41%
    Warm 41.3%
    Powdery 40.28%
    Cinnamon 37.66%
    Vanilla 35.05%
    Anisic 33.31%

     

    Flavor
    Balsam 55.07%
    Sweet 48.93%
    Floral 47.29%
    Spicy 44.39%
    Anise 39.88%
    Bitter 39.12%
    Spice 34.29%
    Flower 32.43%
    Green 30.98%
    Chocolate 30.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.55 (neutral)

    Molecular weight
    254.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    377°C

    Flash point

    • 154.42 ˚C est.

    Solubility expt.

    • Insoluble in water, soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • 120-11-6
    • 1-Benzyloxy-2-methoxy-4-(1-propenyl)benzene
    • Benzyl isoeugenol
    • 1-(benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene
    • 2-methoxy-1-phenylmethoxy-4-prop-1-enylbenzene
    • Benzyl isoeugenol ether
    • 1-(Benzyloxy)-2-methoxy-4-(1-propenyl)benzene
    • SCHEMBL873590
    • DTXSID0051605
    • YKSSSKBJDZDZTD-UHFFFAOYSA-N
    • AKOS030228023

  • Applications

    1-Benzyloxy-2-methoxy-4-(1-propenyl)benzene is primarily used as a synthetic intermediate in the fragrance and flavor industries, serving as a building block for aryl ether–type aroma compounds and as a precursor to more complex fragrance materials. In cosmetics and personal care, it may be employed as a fragrance ingredient or as a precursor for scent formulations. Because it contains a benzyloxy protecting group and additional functional groups, it can function as a protected phenol in multi-step syntheses, enabling subsequent transformations. In polymers and coatings research, it can serve as a functionalized aryl ether building block for specialty polymers or coating/resin systems. It may also be used as an intermediate in pharmaceutical or agrochemical R&D, subject to local regulations and formulation limits. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 376.61
    methanol 265.85
    isopropanol 266.98
    water 0.21
    ethyl acetate 2611.1
    n-propanol 368.85
    acetone 1747.36
    n-butanol 397.59
    acetonitrile 1351.93
    DMF 695.52
    toluene 1089.41
    isobutanol 299.6
    1,4-dioxane 1925.95
    methyl acetate 1476.37
    THF 1860.84
    2-butanone 1304.64
    n-pentanol 250.12
    sec-butanol 342.33
    n-hexane 112.16
    ethylene glycol 59.37
    NMP 483.74
    cyclohexane 445.11
    DMSO 1421.59
    n-butyl acetate 748.19
    n-octanol 98.76
    chloroform 5254.1
    n-propyl acetate 786.8
    acetic acid 731.9
    dichloromethane 6569.12
    cyclohexanone 1517.46
    propylene glycol 108.38
    isopropyl acetate 950.08
    DMAc 702.3
    2-ethoxyethanol 516.08
    isopentanol 360.93
    n-heptane 75.36
    ethyl formate 686.72
    1,2-dichloroethane 5304.51
    n-hexanol 261.38
    2-methoxyethanol 746.2
    isobutyl acetate 416.16
    tetrachloromethane 497.7
    n-pentyl acetate 333.89
    transcutol 1968.9
    n-heptanol 112.97
    ethylbenzene 351.51
    MIBK 577.13
    2-propoxyethanol 445.55
    tert-butanol 488.16
    MTBE 850.78
    2-butoxyethanol 248.81
    propionic acid 496.44
    o-xylene 387.32
    formic acid 126.43
    diethyl ether 2377.3
    m-xylene 448.31
    p-xylene 366.6
    chlorobenzene 1365.77
    dimethyl carbonate 626.08
    n-octane 30.51
    formamide 378.17
    cyclopentanone 1498.22
    2-pentanone 1172.94
    anisole 721.18
    cyclopentyl methyl ether 1032.95
    gamma-butyrolactone 1568.73
    1-methoxy-2-propanol 498.86
    pyridine 1865.42
    3-pentanone 1138.71
    furfural 1149.67
    n-dodecane 19.81
    diethylene glycol 298.39
    diisopropyl ether 369.2
    tert-amyl alcohol 409.49
    acetylacetone 1391.42
    n-hexadecane 24.11
    acetophenone 534.04
    methyl propionate 1322.09
    isopentyl acetate 596.39
    trichloroethylene 6677.56
    n-nonanol 100.65
    cyclohexanol 535.71
    benzyl alcohol 363.11
    2-ethylhexanol 193.22
    isooctanol 110.66
    dipropyl ether 473.86
    1,2-dichlorobenzene 989.87
    ethyl lactate 212.76
    propylene carbonate 831.47
    n-methylformamide 413.88
    2-pentanol 347.21
    n-pentane 114.55
    1-propoxy-2-propanol 325.23
    1-methoxy-2-propyl acetate 625.16
    2-(2-methoxypropoxy) propanol 281.47
    mesitylene 244.86
    ε-caprolactone 1094.13
    p-cymene 150.13
    epichlorohydrin 2956.21
    1,1,1-trichloroethane 2988.56
    2-aminoethanol 136.61
    morpholine-4-carbaldehyde 727.82
    sulfolane 1380.33
    2,2,4-trimethylpentane 53.16
    2-methyltetrahydrofuran 1262.12
    n-hexyl acetate 390.92
    isooctane 45.42
    2-(2-butoxyethoxy)ethanol 396.35
    sec-butyl acetate 509.37
    tert-butyl acetate 800.86
    decalin 108.97
    glycerin 154.65
    diglyme 1062.21
    acrylic acid 424.01
    isopropyl myristate 159.93
    n-butyric acid 803.9
    acetyl acetate 1263.43
    di(2-ethylhexyl) phthalate 120.75
    ethyl propionate 761.67
    nitromethane 1942.73
    1,2-diethoxyethane 975.79
    benzonitrile 551.79
    trioctyl phosphate 85.86
    1-bromopropane 2065.14
    gamma-valerolactone 1309.21
    n-decanol 76.69
    triethyl phosphate 239.54
    4-methyl-2-pentanol 181.81
    propionitrile 802.5
    vinylene carbonate 790.83
    1,1,2-trichlorotrifluoroethane 1151.11
    DMS 540.7
    cumene 176.82
    2-octanol 79.82
    2-hexanone 602.94
    octyl acetate 181.63
    limonene 223.82
    1,2-dimethoxyethane 1100.93
    ethyl orthosilicate 231.75
    tributyl phosphate 135.67
    diacetone alcohol 525.68
    N,N-dimethylaniline 314.39
    acrylonitrile 986.0
    aniline 751.72
    1,3-propanediol 286.4
    bromobenzene 1714.09
    dibromomethane 4054.73
    1,1,2,2-tetrachloroethane 4690.26
    2-methyl-cyclohexyl acetate 345.47
    tetrabutyl urea 154.54
    diisobutyl methanol 134.61
    2-phenylethanol 320.04
    styrene 546.5
    dioctyl adipate 245.8
    dimethyl sulfate 682.86
    ethyl butyrate 581.15
    methyl lactate 283.57
    butyl lactate 179.1
    diethyl carbonate 434.07
    propanediol butyl ether 169.17
    triethyl orthoformate 364.18
    p-tert-butyltoluene 138.68
    methyl 4-tert-butylbenzoate 300.26
    morpholine 1705.29
    tert-butylamine 305.88
    n-dodecanol 62.52
    dimethoxymethane 1090.92
    ethylene carbonate 716.51
    cyrene 262.9
    2-ethoxyethyl acetate 538.78
    2-ethylhexyl acetate 459.51
    1,2,4-trichlorobenzene 1081.4
    4-methylpyridine 1312.8
    dibutyl ether 348.05
    2,6-dimethyl-4-heptanol 134.61
    DEF 995.76
    dimethyl isosorbide 557.07
    tetrachloroethylene 2587.04
    eugenol 254.26
    triacetin 419.24
    span 80 197.87
    1,4-butanediol 103.91
    1,1-dichloroethane 3355.2
    2-methyl-1-pentanol 275.75
    methyl formate 475.87
    2-methyl-1-butanol 357.25
    n-decane 35.75
    butyronitrile 781.05
    3,7-dimethyl-1-octanol 135.79
    1-chlorooctane 170.04
    1-chlorotetradecane 62.99
    n-nonane 36.62
    undecane 25.07
    tert-butylcyclohexane 79.05
    cyclooctane 131.4
    cyclopentanol 355.5
    tetrahydropyran 2060.17
    tert-amyl methyl ether 543.41
    2,5,8-trioxanonane 624.05
    1-hexene 331.08
    2-isopropoxyethanol 358.67
    2,2,2-trifluoroethanol 265.91
    methyl butyrate 825.63

    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