3-Methoxy-4-((2E)-3-phenyl-2-propen-1-yl)phenol

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  • Identifiers

    CAS number
    21148-31-2

    Molecular formula
    C16H16O2

    SMILES
    COC1=C(C=CC(=C1)O)C/C=C/C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Spicy 67.8%
    Floral 53.29%
    Sweet 49.42%
    Balsamic 48.79%
    Phenolic 31.62%
    Warm 29.64%
    Fruity 29.31%
    Clove 27.92%
    Cinnamon 27.27%
    Powdery 24.57%

     

    Flavor
    Balsam 43.6%
    Sweet 43.36%
    Spicy 35.78%
    Spice 34.0%
    Floral 32.95%
    Bitter 29.73%
    Clove 28.66%
    Herbal 28.39%
    Green 27.59%
    Anise 27.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    9.46 (weak base)

    Molecular weight
    240.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    414°C

    Flash point

    • 179.41 ˚C est.

  • Synonyms

    • 21148-31-2
    • DTXSID201243178
    • 3-Methoxy-4-((2E)-3-phenyl-2-propen-1-yl)phenol
    • 3-Methoxy-4-[(2E)-3-phenyl-2-propen-1-yl]phenol
    • RefChem:1068123
    • DTXCID501674055
    • Obtustyrene
    • 4-cinnamyl-3-methoxyphenol
    • 3-methoxy-4-[(2E)-3-phenylprop-2-en-1-yl]phenol
    • Phenol, 3-methoxy-4-(3-phenyl-2-propenyl)-, (E)-
    • 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol
    • CHEMBL243670
    • SCHEMBL29594770
    • CHEBI:173731
    • 3-Methoxy-4-(3-phenyl-2-propenyl)-(e)-Phenol
    • 3-Methoxy-4-(3-phenyl-2-propenyl)phenol, 9CI
    • 21148-31-2

  • Applications

    3-Methoxy-4-((2E)-3-phenyl-2-propen-1-yl)phenol, CAS 21148-31-2, is primarily used in fragrance and flavor applications as an odorant and fragrance component for perfumery and personal care products; it may also be employed as an intermediate in the synthesis of related aroma compounds and derivatives for formulation development; in household products it can appear as a fragrance additive; in research and development it is considered a building block for aroma formulations; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 280.49
    methanol 195.91
    isopropanol 179.86
    water 0.02
    ethyl acetate 420.79
    n-propanol 225.96
    acetone 271.01
    n-butanol 149.62
    acetonitrile 216.07
    DMF 110.69
    toluene 134.24
    isobutanol 104.61
    1,4-dioxane 810.76
    methyl acetate 289.07
    THF 1232.1
    2-butanone 287.02
    n-pentanol 102.86
    sec-butanol 158.46
    n-hexane 10.48
    ethylene glycol 48.26
    NMP 56.15
    cyclohexane 18.55
    DMSO 773.84
    n-butyl acetate 113.87
    n-octanol 26.99
    chloroform 562.55
    n-propyl acetate 120.24
    acetic acid 110.77
    dichloromethane 577.04
    cyclohexanone 213.84
    propylene glycol 164.63
    isopropyl acetate 152.28
    DMAc 175.07
    2-ethoxyethanol 245.63
    isopentanol 95.08
    n-heptane 9.88
    ethyl formate 90.12
    1,2-dichloroethane 497.9
    n-hexanol 90.61
    2-methoxyethanol 392.41
    isobutyl acetate 77.66
    tetrachloromethane 36.71
    n-pentyl acetate 49.15
    transcutol 819.44
    n-heptanol 32.5
    ethylbenzene 43.51
    MIBK 122.49
    2-propoxyethanol 221.15
    tert-butanol 212.51
    MTBE 233.0
    2-butoxyethanol 85.33
    propionic acid 113.71
    o-xylene 43.5
    formic acid 28.12
    diethyl ether 439.17
    m-xylene 54.6
    p-xylene 39.29
    chlorobenzene 107.77
    dimethyl carbonate 105.12
    n-octane 4.37
    formamide 79.0
    cyclopentanone 277.56
    2-pentanone 207.45
    anisole 141.14
    cyclopentyl methyl ether 237.7
    gamma-butyrolactone 294.13
    1-methoxy-2-propanol 301.71
    pyridine 293.43
    3-pentanone 169.98
    furfural 182.35
    n-dodecane 4.48
    diethylene glycol 178.49
    diisopropyl ether 65.47
    tert-amyl alcohol 140.52
    acetylacetone 256.84
    n-hexadecane 5.23
    acetophenone 92.37
    methyl propionate 255.95
    isopentyl acetate 105.64
    trichloroethylene 582.45
    n-nonanol 29.18
    cyclohexanol 104.16
    benzyl alcohol 90.37
    2-ethylhexanol 54.16
    isooctanol 30.44
    dipropyl ether 114.09
    1,2-dichlorobenzene 82.53
    ethyl lactate 59.29
    propylene carbonate 122.19
    n-methylformamide 92.54
    2-pentanol 104.79
    n-pentane 8.14
    1-propoxy-2-propanol 150.79
    1-methoxy-2-propyl acetate 169.84
    2-(2-methoxypropoxy) propanol 121.11
    mesitylene 32.01
    ε-caprolactone 165.21
    p-cymene 27.57
    epichlorohydrin 643.47
    1,1,1-trichloroethane 255.73
    2-aminoethanol 125.85
    morpholine-4-carbaldehyde 188.2
    sulfolane 295.48
    2,2,4-trimethylpentane 8.4
    2-methyltetrahydrofuran 395.54
    n-hexyl acetate 68.51
    isooctane 7.66
    2-(2-butoxyethoxy)ethanol 174.04
    sec-butyl acetate 85.61
    tert-butyl acetate 160.59
    decalin 11.97
    glycerin 144.91
    diglyme 341.06
    acrylic acid 79.31
    isopropyl myristate 39.94
    n-butyric acid 146.17
    acetyl acetate 141.68
    di(2-ethylhexyl) phthalate 34.24
    ethyl propionate 119.55
    nitromethane 271.07
    1,2-diethoxyethane 256.88
    benzonitrile 79.75
    trioctyl phosphate 24.5
    1-bromopropane 226.06
    gamma-valerolactone 308.95
    n-decanol 24.74
    triethyl phosphate 54.18
    4-methyl-2-pentanol 51.77
    propionitrile 168.81
    vinylene carbonate 103.25
    1,1,2-trichlorotrifluoroethane 241.56
    DMS 97.44
    cumene 29.28
    2-octanol 20.47
    2-hexanone 112.12
    octyl acetate 43.52
    limonene 39.68
    1,2-dimethoxyethane 348.96
    ethyl orthosilicate 54.03
    tributyl phosphate 35.03
    diacetone alcohol 166.93
    N,N-dimethylaniline 66.65
    acrylonitrile 162.13
    aniline 125.9
    1,3-propanediol 180.08
    bromobenzene 119.6
    dibromomethane 376.2
    1,1,2,2-tetrachloroethane 489.59
    2-methyl-cyclohexyl acetate 73.03
    tetrabutyl urea 42.73
    diisobutyl methanol 42.55
    2-phenylethanol 83.03
    styrene 59.74
    dioctyl adipate 62.43
    dimethyl sulfate 129.46
    ethyl butyrate 97.98
    methyl lactate 91.9
    butyl lactate 47.23
    diethyl carbonate 74.65
    propanediol butyl ether 73.38
    triethyl orthoformate 76.64
    p-tert-butyltoluene 28.04
    methyl 4-tert-butylbenzoate 80.42
    morpholine 781.82
    tert-butylamine 101.31
    n-dodecanol 21.54
    dimethoxymethane 377.1
    ethylene carbonate 98.13
    cyrene 86.59
    2-ethoxyethyl acetate 115.16
    2-ethylhexyl acetate 75.66
    1,2,4-trichlorobenzene 106.5
    4-methylpyridine 163.77
    dibutyl ether 69.78
    2,6-dimethyl-4-heptanol 42.55
    DEF 128.76
    dimethyl isosorbide 185.88
    tetrachloroethylene 226.47
    eugenol 78.4
    triacetin 99.07
    span 80 76.05
    1,4-butanediol 60.92
    1,1-dichloroethane 345.42
    2-methyl-1-pentanol 77.5
    methyl formate 73.44
    2-methyl-1-butanol 87.88
    n-decane 6.73
    butyronitrile 130.04
    3,7-dimethyl-1-octanol 40.32
    1-chlorooctane 27.48
    1-chlorotetradecane 13.87
    n-nonane 6.14
    undecane 5.35
    tert-butylcyclohexane 12.01
    cyclooctane 7.05
    cyclopentanol 105.41
    tetrahydropyran 660.91
    tert-amyl methyl ether 133.12
    2,5,8-trioxanonane 241.44
    1-hexene 48.48
    2-isopropoxyethanol 155.8
    2,2,2-trifluoroethanol 30.57
    methyl butyrate 119.76

    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