2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol

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  • Identifiers

    CAS number
    63644-71-3

    Molecular formula
    C11H14O3

    SMILES
    COC/C=C/C1=CC(=C(C=C1)O)OC

  • Odor profile

    Fragrance
    Sweet 84.41%
    Spicy 79.16%
    Vanilla 72.04%
    Floral 69.56%
    Balsamic 54.76%
    Clove 52.25%
    Powdery 48.96%
    Woody 46.05%
    Cinnamon 41.52%
    Warm 41.48%

     

    Flavor
    Sweet 70.97%
    Spicy 59.48%
    Floral 47.53%
    Vanilla 45.27%
    Woody 42.25%
    Clove 41.0%
    Spice 40.73%
    Creamy 33.95%
    Flower 33.52%
    Powdery 32.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.42 (weak base)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    301°C

    Flash point

    • 133.55 ˚C est.

  • Synonyms

    • gamma-Methoxyisoeugenol
    • 63644-71-3
    • 2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol
    • 2-methoxy-4-[(E)-3-methoxyprop-1-enyl]phenol
    • 2-Methoxy-4-(3-methoxyprop-1-en-1-yl)phenol
    • coniferyl methyl ether
    • 9-methoxyconiferyl alcohol
    • 9-methoxy-coniferyl alcohol
    • SCHEMBL11746562
    • coniferyl alcohol 9-methyl ester
    • HY-N3919
    • AKOS022644671
    • AKOS040761760
    • FS-8674
    • DA-53483
    • XM173072
    • CS-0024454
    • Q27458701
    • C9M

  • Applications

    2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol (CAS 63644-71-3) is a substituted phenol that is typically evaluated as an intermediate and potential odorant in fragrance chemistry, and may be used as a fragrance ingredient in cosmetics and personal care products; it may also be considered as a flavor precursor in food-processing contexts; in industrial manufacturing it can serve as a building block for organic synthesis, including specialty resins and polymerizable materials, and in coatings and inks it can function as a reactive phenolic component to support formulation development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 475.19
    methanol 507.52
    isopropanol 291.84
    water 1.43
    ethyl acetate 615.77
    n-propanol 326.13
    acetone 248.06
    n-butanol 227.69
    acetonitrile 320.39
    DMF 266.58
    toluene 55.82
    isobutanol 167.54
    1,4-dioxane 742.27
    methyl acetate 383.24
    THF 470.55
    2-butanone 182.61
    n-pentanol 138.43
    sec-butanol 224.83
    n-hexane 4.87
    ethylene glycol 279.99
    NMP 111.11
    cyclohexane 19.5
    DMSO 666.62
    n-butyl acetate 107.85
    n-octanol 43.1
    chloroform 438.37
    n-propyl acetate 148.39
    acetic acid 648.14
    dichloromethane 452.81
    cyclohexanone 165.83
    propylene glycol 350.08
    isopropyl acetate 145.26
    DMAc 216.5
    2-ethoxyethanol 521.2
    isopentanol 137.71
    n-heptane 8.2
    ethyl formate 210.53
    1,2-dichloroethane 321.46
    n-hexanol 116.02
    2-methoxyethanol 919.85
    isobutyl acetate 75.97
    tetrachloromethane 51.82
    n-pentyl acetate 49.89
    transcutol 636.14
    n-heptanol 49.41
    ethylbenzene 31.71
    MIBK 85.56
    2-propoxyethanol 276.2
    tert-butanol 611.81
    MTBE 224.42
    2-butoxyethanol 127.47
    propionic acid 284.85
    o-xylene 42.42
    formic acid 306.58
    diethyl ether 275.56
    m-xylene 41.41
    p-xylene 36.4
    chlorobenzene 79.88
    dimethyl carbonate 118.49
    n-octane 4.61
    formamide 489.62
    cyclopentanone 193.6
    2-pentanone 146.49
    anisole 117.37
    cyclopentyl methyl ether 153.47
    gamma-butyrolactone 297.35
    1-methoxy-2-propanol 473.11
    pyridine 240.43
    3-pentanone 101.89
    furfural 275.83
    n-dodecane 4.62
    diethylene glycol 369.02
    diisopropyl ether 43.37
    tert-amyl alcohol 324.69
    acetylacetone 211.1
    n-hexadecane 5.06
    acetophenone 95.63
    methyl propionate 287.55
    isopentyl acetate 88.21
    trichloroethylene 509.29
    n-nonanol 40.46
    cyclohexanol 170.68
    benzyl alcohol 122.22
    2-ethylhexanol 59.84
    isooctanol 40.91
    dipropyl ether 66.73
    1,2-dichlorobenzene 77.19
    ethyl lactate 97.16
    propylene carbonate 158.36
    n-methylformamide 243.83
    2-pentanol 134.4
    n-pentane 6.8
    1-propoxy-2-propanol 149.93
    1-methoxy-2-propyl acetate 135.88
    2-(2-methoxypropoxy) propanol 126.41
    mesitylene 28.57
    ε-caprolactone 180.65
    p-cymene 26.99
    epichlorohydrin 456.4
    1,1,1-trichloroethane 210.72
    2-aminoethanol 402.4
    morpholine-4-carbaldehyde 280.81
    sulfolane 273.08
    2,2,4-trimethylpentane 8.3
    2-methyltetrahydrofuran 261.39
    n-hexyl acetate 69.05
    isooctane 6.27
    2-(2-butoxyethoxy)ethanol 177.39
    sec-butyl acetate 84.45
    tert-butyl acetate 143.81
    decalin 9.95
    glycerin 468.46
    diglyme 355.98
    acrylic acid 244.86
    isopropyl myristate 33.09
    n-butyric acid 335.54
    acetyl acetate 207.25
    di(2-ethylhexyl) phthalate 38.16
    ethyl propionate 119.9
    nitromethane 744.62
    1,2-diethoxyethane 166.06
    benzonitrile 95.22
    trioctyl phosphate 28.26
    1-bromopropane 122.54
    gamma-valerolactone 293.64
    n-decanol 32.47
    triethyl phosphate 55.18
    4-methyl-2-pentanol 60.77
    propionitrile 178.36
    vinylene carbonate 158.74
    1,1,2-trichlorotrifluoroethane 399.79
    DMS 93.02
    cumene 26.62
    2-octanol 29.75
    2-hexanone 89.69
    octyl acetate 41.48
    limonene 39.46
    1,2-dimethoxyethane 435.82
    ethyl orthosilicate 55.36
    tributyl phosphate 36.32
    diacetone alcohol 194.51
    N,N-dimethylaniline 67.42
    acrylonitrile 224.94
    aniline 149.18
    1,3-propanediol 519.4
    bromobenzene 73.36
    dibromomethane 266.23
    1,1,2,2-tetrachloroethane 365.11
    2-methyl-cyclohexyl acetate 71.72
    tetrabutyl urea 43.67
    diisobutyl methanol 39.53
    2-phenylethanol 96.18
    styrene 42.88
    dioctyl adipate 57.22
    dimethyl sulfate 144.77
    ethyl butyrate 94.72
    methyl lactate 163.34
    butyl lactate 53.85
    diethyl carbonate 80.68
    propanediol butyl ether 110.56
    triethyl orthoformate 73.89
    p-tert-butyltoluene 27.86
    methyl 4-tert-butylbenzoate 83.0
    morpholine 765.78
    tert-butylamine 227.81
    n-dodecanol 27.48
    dimethoxymethane 331.49
    ethylene carbonate 147.1
    cyrene 122.66
    2-ethoxyethyl acetate 110.48
    2-ethylhexyl acetate 64.31
    1,2,4-trichlorobenzene 94.96
    4-methylpyridine 149.56
    dibutyl ether 49.51
    2,6-dimethyl-4-heptanol 39.53
    DEF 160.67
    dimethyl isosorbide 171.55
    tetrachloroethylene 241.15
    eugenol 92.37
    triacetin 101.78
    span 80 91.59
    1,4-butanediol 171.16
    1,1-dichloroethane 248.18
    2-methyl-1-pentanol 104.85
    methyl formate 211.73
    2-methyl-1-butanol 136.94
    n-decane 6.81
    butyronitrile 141.77
    3,7-dimethyl-1-octanol 46.13
    1-chlorooctane 27.05
    1-chlorotetradecane 13.23
    n-nonane 6.35
    undecane 5.37
    tert-butylcyclohexane 9.32
    cyclooctane 6.68
    cyclopentanol 149.61
    tetrahydropyran 373.76
    tert-amyl methyl ether 134.92
    2,5,8-trioxanonane 248.11
    1-hexene 22.64
    2-isopropoxyethanol 265.57
    2,2,2-trifluoroethanol 214.56
    methyl butyrate 143.53

    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

Botanical

Name CAS Botanical Proportion
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.01%