Benzene, 2-methoxy-1-(phenylmethoxy)-4-(2-propen-1-yl)-

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  • Identifiers

    CAS number
    57371-42-3

    Molecular formula
    C17H18O2

    SMILES
    COC1=C(C=CC(=C1)CC=C)OCC2=CC=CC=C2

  • Odor profile

    Fragrance
    Spicy 80.37%
    Floral 67.92%
    Balsamic 56.27%
    Sweet 54.08%
    Warm 45.73%
    Clove 44.9%
    Woody 36.95%
    Cinnamon 35.93%
    Herbal 33.63%
    Anisic 32.36%

     

    Flavor
    Sweet 82.17%
    Balsam 62.84%
    Spicy 60.43%
    Floral 56.89%
    Anise 52.4%
    Spice 50.2%
    Clove 48.38%
    Chocolate 46.11%
    Vanilla 45.28%
    Cinnamon 44.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.18 (neutral)

    Molecular weight
    254.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    359°C

    Flash point

    • 148.39 ˚C est.

  • Synonyms

    • Benzyl eugenol
    • 57371-42-3
    • 4-allyl-1-(benzyloxy)-2-methoxybenzene
    • Eugenol benzyl ether
    • 4-Allyl-2-methoxyphenyl benzyl ether
    • 1-(benzyloxy)-2-methoxy-4-(prop-2-en-1-yl)benzene
    • EINECS 260-703-5
    • Benzene, 2-methoxy-1-(phenylmethoxy)-4-(2-propenyl)-
    • 2-methoxy-1-phenylmethoxy-4-prop-2-enylbenzene
    • BRN 2534393
    • AI3-05018
    • 2-Methoxy-1-(phenylmethoxy)-4-(2-propenyl)benzene
    • DTXSID0069179
    • NSC 46936
    • Benzene, 2-methoxy-1-(phenylmethoxy)-4-(2-propen-1-yl)-
    • MFCD00098119
    • TimTec1_004098
    • SCHEMBL874505
    • DTXCID8042210
    • NSCLRALYUOMPCL-UHFFFAOYSA-N
    • HMS1545K06
    • ALBB-023211
    • NSC46936
    • NSC-46936
    • STK012252
    • AKOS003244908
    • LS-07266
    • CS-0319808
    • NS00033704
    • F72436
    • BRD-K72360022-001-01-8
    • 260-703-5

  • Applications

    Chemical name: Benzene, 2-methoxy-1-(phenylmethoxy)-4-(2-propen-1-yl)-; CAS: 57371-42-3. In real-world practice, the compound may serve as an intermediate in the synthesis of fragrance compounds and aroma materials; it may also act as a precursor for cosmetics and personal care formulations that rely on fragrance components. It can function as a fragrance-related intermediate in household products. The allyl group enables participation in radical polymerization, making it suitable as a crosslinkable monomer or building block in specialty polymers and coatings/inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 497.87
    methanol 358.32
    isopropanol 340.81
    water 0.16
    ethyl acetate 2657.39
    n-propanol 460.06
    acetone 1574.64
    n-butanol 473.91
    acetonitrile 1311.59
    DMF 553.27
    toluene 831.86
    isobutanol 335.94
    1,4-dioxane 2063.96
    methyl acetate 1449.21
    THF 1892.33
    2-butanone 1188.11
    n-pentanol 281.47
    sec-butanol 395.87
    n-hexane 75.65
    ethylene glycol 63.78
    NMP 342.92
    cyclohexane 334.35
    DMSO 1416.98
    n-butyl acetate 704.04
    n-octanol 100.33
    chloroform 4410.22
    n-propyl acetate 761.62
    acetic acid 791.85
    dichloromethane 5165.56
    cyclohexanone 1346.74
    propylene glycol 130.97
    isopropyl acetate 939.4
    DMAc 568.28
    2-ethoxyethanol 591.84
    isopentanol 384.23
    n-heptane 63.92
    ethyl formate 749.12
    1,2-dichloroethane 4226.99
    n-hexanol 278.24
    2-methoxyethanol 850.32
    isobutyl acetate 398.56
    tetrachloromethane 375.04
    n-pentyl acetate 301.1
    transcutol 2186.1
    n-heptanol 111.22
    ethylbenzene 296.48
    MIBK 541.96
    2-propoxyethanol 467.44
    tert-butanol 532.41
    MTBE 786.65
    2-butoxyethanol 248.11
    propionic acid 508.11
    o-xylene 308.05
    formic acid 140.06
    diethyl ether 2308.09
    m-xylene 354.47
    p-xylene 291.56
    chlorobenzene 1074.94
    dimethyl carbonate 534.74
    n-octane 26.14
    formamide 377.9
    cyclopentanone 1231.87
    2-pentanone 1054.65
    anisole 624.64
    cyclopentyl methyl ether 907.02
    gamma-butyrolactone 1417.09
    1-methoxy-2-propanol 561.8
    pyridine 1681.63
    3-pentanone 917.76
    furfural 1040.72
    n-dodecane 17.68
    diethylene glycol 327.62
    diisopropyl ether 328.36
    tert-amyl alcohol 417.09
    acetylacetone 1262.69
    n-hexadecane 21.27
    acetophenone 472.02
    methyl propionate 1195.19
    isopentyl acetate 561.77
    trichloroethylene 5305.54
    n-nonanol 103.07
    cyclohexanol 525.54
    benzyl alcohol 350.46
    2-ethylhexanol 187.79
    isooctanol 111.14
    dipropyl ether 454.52
    1,2-dichlorobenzene 771.42
    ethyl lactate 212.4
    propylene carbonate 780.88
    n-methylformamide 405.19
    2-pentanol 381.2
    n-pentane 85.42
    1-propoxy-2-propanol 342.91
    1-methoxy-2-propyl acetate 620.72
    2-(2-methoxypropoxy) propanol 281.23
    mesitylene 201.58
    ε-caprolactone 1027.25
    p-cymene 133.61
    epichlorohydrin 2739.81
    1,1,1-trichloroethane 2356.12
    2-aminoethanol 154.13
    morpholine-4-carbaldehyde 599.72
    sulfolane 1129.32
    2,2,4-trimethylpentane 42.12
    2-methyltetrahydrofuran 1224.57
    n-hexyl acetate 352.06
    isooctane 37.43
    2-(2-butoxyethoxy)ethanol 424.54
    sec-butyl acetate 493.35
    tert-butyl acetate 754.72
    decalin 84.52
    glycerin 170.76
    diglyme 1068.38
    acrylic acid 401.06
    isopropyl myristate 147.0
    n-butyric acid 896.54
    acetyl acetate 1209.4
    di(2-ethylhexyl) phthalate 112.46
    ethyl propionate 706.7
    nitromethane 1861.63
    1,2-diethoxyethane 965.98
    benzonitrile 500.35
    trioctyl phosphate 78.63
    1-bromopropane 1727.7
    gamma-valerolactone 1196.3
    n-decanol 78.47
    triethyl phosphate 222.14
    4-methyl-2-pentanol 189.49
    propionitrile 802.76
    vinylene carbonate 730.46
    1,1,2-trichlorotrifluoroethane 1015.81
    DMS 464.27
    cumene 151.4
    2-octanol 78.64
    2-hexanone 557.28
    octyl acetate 163.35
    limonene 200.41
    1,2-dimethoxyethane 1140.57
    ethyl orthosilicate 211.55
    tributyl phosphate 121.34
    diacetone alcohol 523.95
    N,N-dimethylaniline 264.47
    acrylonitrile 912.62
    aniline 646.12
    1,3-propanediol 348.69
    bromobenzene 1274.8
    dibromomethane 3239.6
    1,1,2,2-tetrachloroethane 3925.4
    2-methyl-cyclohexyl acetate 321.07
    tetrabutyl urea 141.32
    diisobutyl methanol 136.57
    2-phenylethanol 301.74
    styrene 442.73
    dioctyl adipate 228.06
    dimethyl sulfate 540.7
    ethyl butyrate 547.05
    methyl lactate 283.26
    butyl lactate 179.8
    diethyl carbonate 408.98
    propanediol butyl ether 184.4
    triethyl orthoformate 349.11
    p-tert-butyltoluene 125.04
    methyl 4-tert-butylbenzoate 276.07
    morpholine 1783.2
    tert-butylamine 316.44
    n-dodecanol 61.74
    dimethoxymethane 1048.72
    ethylene carbonate 683.26
    cyrene 254.59
    2-ethoxyethyl acetate 501.81
    2-ethylhexyl acetate 417.31
    1,2,4-trichlorobenzene 812.03
    4-methylpyridine 1085.04
    dibutyl ether 328.28
    2,6-dimethyl-4-heptanol 136.57
    DEF 844.36
    dimethyl isosorbide 525.95
    tetrachloroethylene 2105.7
    eugenol 243.72
    triacetin 370.16
    span 80 195.77
    1,4-butanediol 120.61
    1,1-dichloroethane 2821.0
    2-methyl-1-pentanol 290.39
    methyl formate 467.28
    2-methyl-1-butanol 367.57
    n-decane 31.68
    butyronitrile 791.92
    3,7-dimethyl-1-octanol 137.28
    1-chlorooctane 151.73
    1-chlorotetradecane 56.12
    n-nonane 32.16
    undecane 22.36
    tert-butylcyclohexane 60.64
    cyclooctane 93.71
    cyclopentanol 347.14
    tetrahydropyran 2133.22
    tert-amyl methyl ether 491.87
    2,5,8-trioxanonane 624.9
    1-hexene 269.91
    2-isopropoxyethanol 377.44
    2,2,2-trifluoroethanol 265.63
    methyl butyrate 792.29

    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