Phenol, 2-methoxy-4-(1-methylethenyl)-

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  • Identifiers

    CAS number
    110346-52-6

    Molecular formula
    C10H12O2

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

  • Odor profile

    Fragrance
    Spicy 80.28%
    Sweet 75.94%
    Woody 68.71%
    Phenolic 65.68%
    Clove 57.3%
    Floral 54.26%
    Smoky 50.62%
    Balsamic 41.17%
    Powdery 39.77%
    Vanilla 37.9%

     

    Flavor
    Spicy 52.11%
    Woody 48.04%
    Phenolic 46.18%
    Spice 39.62%
    Clove 39.34%
    Sweet 34.78%
    Smoky 33.86%
    Medicinal 33.06%
    Herbal 31.12%
    Bitter 27.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    10.1 (weak base)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 108.11 ˚C est.

  • Synonyms

    • Phenol, 2-methoxy-4-(1-methylethenyl)-
    • 110346-52-6
    • 4-isopropenyl-2-methoxyphenol
    • SCHEMBL4649592
    • DTXSID70369075
    • AN-651/43284900

  • Applications

    Phenol, 2-methoxy-4-(1-methylethenyl)- (CAS number: 110346-52-6) is used as a specialty intermediate in fragrance and flavor chemistry, as a building block for phenolic resins and crosslinked polymers, as a reactive monomer or functional additive in coatings, inks and adhesives, and as a precursor for other aroma-related compounds; it is sometimes used in cosmetics and personal care formulations as a fragrance ingredient, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 542.08
    methanol 486.99
    isopropanol 351.18
    water 0.74
    ethyl acetate 435.38
    n-propanol 399.1
    acetone 477.28
    n-butanol 306.76
    acetonitrile 547.97
    DMF 551.94
    toluene 114.09
    isobutanol 219.62
    1,4-dioxane 885.1
    methyl acetate 479.42
    THF 922.17
    2-butanone 403.81
    n-pentanol 179.98
    sec-butanol 270.78
    n-hexane 3.91
    ethylene glycol 122.18
    NMP 202.13
    cyclohexane 17.23
    DMSO 579.57
    n-butyl acetate 201.34
    n-octanol 95.88
    chloroform 555.97
    n-propyl acetate 193.32
    acetic acid 402.23
    dichloromethane 708.92
    cyclohexanone 335.45
    propylene glycol 163.32
    isopropyl acetate 141.5
    DMAc 313.24
    2-ethoxyethanol 351.15
    isopentanol 197.76
    n-heptane 13.23
    ethyl formate 370.81
    1,2-dichloroethane 357.44
    n-hexanol 201.99
    2-methoxyethanol 761.03
    isobutyl acetate 92.16
    tetrachloromethane 63.81
    n-pentyl acetate 99.78
    transcutol 617.36
    n-heptanol 93.78
    ethylbenzene 66.36
    MIBK 113.2
    2-propoxyethanol 336.89
    tert-butanol 469.32
    MTBE 238.77
    2-butoxyethanol 183.65
    propionic acid 251.08
    o-xylene 66.99
    formic acid 164.68
    diethyl ether 259.59
    m-xylene 73.18
    p-xylene 83.21
    chlorobenzene 145.97
    dimethyl carbonate 116.84
    n-octane 6.53
    formamide 450.68
    cyclopentanone 440.56
    2-pentanone 241.17
    anisole 191.39
    cyclopentyl methyl ether 188.14
    gamma-butyrolactone 492.62
    1-methoxy-2-propanol 425.61
    pyridine 464.87
    3-pentanone 155.81
    furfural 441.92
    n-dodecane 7.25
    diethylene glycol 253.35
    diisopropyl ether 40.3
    tert-amyl alcohol 293.53
    acetylacetone 268.73
    n-hexadecane 8.17
    acetophenone 147.25
    methyl propionate 269.01
    isopentyl acetate 152.26
    trichloroethylene 652.13
    n-nonanol 85.44
    cyclohexanol 176.92
    benzyl alcohol 172.73
    2-ethylhexanol 107.91
    isooctanol 74.34
    dipropyl ether 117.68
    1,2-dichlorobenzene 117.43
    ethyl lactate 89.25
    propylene carbonate 257.97
    n-methylformamide 424.52
    2-pentanol 146.59
    n-pentane 6.04
    1-propoxy-2-propanol 206.11
    1-methoxy-2-propyl acetate 179.98
    2-(2-methoxypropoxy) propanol 164.64
    mesitylene 39.53
    ε-caprolactone 278.75
    p-cymene 51.57
    epichlorohydrin 719.84
    1,1,1-trichloroethane 303.62
    2-aminoethanol 245.67
    morpholine-4-carbaldehyde 399.99
    sulfolane 349.06
    2,2,4-trimethylpentane 7.38
    2-methyltetrahydrofuran 485.75
    n-hexyl acetate 144.35
    isooctane 6.22
    2-(2-butoxyethoxy)ethanol 246.02
    sec-butyl acetate 99.82
    tert-butyl acetate 145.65
    decalin 10.38
    glycerin 202.37
    diglyme 478.61
    acrylic acid 196.46
    isopropyl myristate 61.73
    n-butyric acid 334.43
    acetyl acetate 206.33
    di(2-ethylhexyl) phthalate 63.48
    ethyl propionate 149.38
    nitromethane 767.22
    1,2-diethoxyethane 221.02
    benzonitrile 191.67
    trioctyl phosphate 46.25
    1-bromopropane 168.38
    gamma-valerolactone 541.13
    n-decanol 66.09
    triethyl phosphate 66.31
    4-methyl-2-pentanol 70.68
    propionitrile 355.58
    vinylene carbonate 267.65
    1,1,2-trichlorotrifluoroethane 301.25
    DMS 112.77
    cumene 44.72
    2-octanol 61.54
    2-hexanone 158.39
    octyl acetate 83.36
    limonene 71.94
    1,2-dimethoxyethane 575.95
    ethyl orthosilicate 65.31
    tributyl phosphate 54.15
    diacetone alcohol 204.31
    N,N-dimethylaniline 100.91
    acrylonitrile 417.05
    aniline 179.31
    1,3-propanediol 379.97
    bromobenzene 139.25
    dibromomethane 378.96
    1,1,2,2-tetrachloroethane 377.95
    2-methyl-cyclohexyl acetate 108.84
    tetrabutyl urea 70.38
    diisobutyl methanol 62.48
    2-phenylethanol 162.68
    styrene 83.69
    dioctyl adipate 93.84
    dimethyl sulfate 122.16
    ethyl butyrate 170.89
    methyl lactate 121.1
    butyl lactate 79.02
    diethyl carbonate 117.84
    propanediol butyl ether 152.38
    triethyl orthoformate 97.74
    p-tert-butyltoluene 49.93
    methyl 4-tert-butylbenzoate 122.67
    morpholine 970.91
    tert-butylamine 213.81
    n-dodecanol 50.5
    dimethoxymethane 415.38
    ethylene carbonate 215.56
    cyrene 140.19
    2-ethoxyethyl acetate 171.86
    2-ethylhexyl acetate 107.48
    1,2,4-trichlorobenzene 139.04
    4-methylpyridine 315.03
    dibutyl ether 94.92
    2,6-dimethyl-4-heptanol 62.48
    DEF 227.5
    dimethyl isosorbide 253.45
    tetrachloroethylene 216.41
    eugenol 133.99
    triacetin 139.62
    span 80 131.65
    1,4-butanediol 115.77
    1,1-dichloroethane 346.48
    2-methyl-1-pentanol 143.91
    methyl formate 360.73
    2-methyl-1-butanol 187.14
    n-decane 11.21
    butyronitrile 322.93
    3,7-dimethyl-1-octanol 91.87
    1-chlorooctane 53.46
    1-chlorotetradecane 22.53
    n-nonane 9.65
    undecane 8.89
    tert-butylcyclohexane 10.64
    cyclooctane 5.05
    cyclopentanol 225.95
    tetrahydropyran 547.78
    tert-amyl methyl ether 133.89
    2,5,8-trioxanonane 321.87
    1-hexene 30.47
    2-isopropoxyethanol 197.38
    2,2,2-trifluoroethanol 116.86
    methyl butyrate 216.58

    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