2-(3-Methyl-2-buten-1-yl)phenol

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  • Identifiers

    CAS number
    1128-92-3

    Molecular formula
    C11H14O

    SMILES
    CC(=CCC1=CC=CC=C1O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 67.28%
    Phenolic 63.68%
    Herbal 50.31%
    Woody 44.17%
    Smoky 43.27%
    Medicinal 42.39%
    Sweet 37.97%
    Leathery 35.07%
    Clove 29.22%
    Balsamic 28.54%

     

    Flavor
    Phenolic 50.19%
    Spicy 44.59%
    Medicinal 40.88%
    Woody 37.47%
    Spice 33.58%
    Herbal 31.91%
    Clove 29.25%
    Sweet 27.28%
    Guaiacol 27.05%
    Smoky 23.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    10.73 (weak base)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point

    • 112.9 ˚C est.

  • Synonyms

    • 2-(3-Methyl-2-buten-1-yl)phenol
    • RefChem:455737
    • o-Prenylphenol
    • 1128-92-3
    • Phenol, o-(3-methyl-2-butenyl)-
    • 2-(3-methylbut-2-enyl)phenol
    • 2-(3-Methyl-2-butenyl)phenol
    • 2-(3-methylbut-2-en-1-yl)phenol
    • Phenol, 2-(3-methyl-2-butenyl)-
    • prenylphenol
    • NSC-407854
    • 2-Prenylphenol
    • o-(3-Methyl-2-butenyl)phenol
    • NSC 407854
    • BRN 2042887
    • AI3-22826
    • NSC407854
    • DSD6L5GGZ9
    • WLN: QR B2UY1&1
    • 2-(3,3-Dimethylallyl)phenol
    • SCHEMBL1967302
    • SCHEMBL9447741
    • SCHEMBL20919835
    • DTXSID90150184
    • 1-(2-Hydroxyphenyl)-3-methylbut-2-ene
    • H61966
    • 1128-92-3

  • Applications

    2-(3-Methyl-2-buten-1-yl)phenol (CAS 1128-92-3) is used primarily as an odorant in fragrances, including perfumes and other scent formulations; it is also commonly evaluated as an aroma intermediate in industrial manufacturing to synthesize more complex aroma compounds; in cosmetics and personal care products it can contribute scent notes; in household products such as cleaners and air fresheners it serves as a fragrance component; usage is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1092.55
    methanol 379.77
    isopropanol 902.07
    water 0.38
    ethyl acetate 1479.99
    n-propanol 891.45
    acetone 1019.06
    n-butanol 832.44
    acetonitrile 1174.97
    DMF 573.75
    toluene 271.56
    isobutanol 562.98
    1,4-dioxane 1482.82
    methyl acetate 1027.37
    THF 1520.33
    2-butanone 1210.09
    n-pentanol 436.09
    sec-butanol 780.34
    n-hexane 79.8
    ethylene glycol 78.0
    NMP 264.39
    cyclohexane 96.75
    DMSO 477.88
    n-butyl acetate 698.14
    n-octanol 221.25
    chloroform 1241.71
    n-propyl acetate 492.34
    acetic acid 427.23
    dichloromethane 1120.63
    cyclohexanone 729.72
    propylene glycol 221.52
    isopropyl acetate 561.81
    DMAc 526.9
    2-ethoxyethanol 449.95
    isopentanol 600.78
    n-heptane 75.18
    ethyl formate 497.71
    1,2-dichloroethane 676.51
    n-hexanol 644.06
    2-methoxyethanol 837.13
    isobutyl acetate 261.67
    tetrachloromethane 130.35
    n-pentyl acetate 247.02
    transcutol 1729.28
    n-heptanol 233.44
    ethylbenzene 151.15
    MIBK 381.5
    2-propoxyethanol 710.21
    tert-butanol 1025.89
    MTBE 1030.42
    2-butoxyethanol 358.08
    propionic acid 440.65
    o-xylene 139.22
    formic acid 81.73
    diethyl ether 1260.97
    m-xylene 177.85
    p-xylene 187.46
    chlorobenzene 281.3
    dimethyl carbonate 197.77
    n-octane 26.67
    formamide 235.2
    cyclopentanone 772.29
    2-pentanone 936.05
    anisole 358.51
    cyclopentyl methyl ether 554.86
    gamma-butyrolactone 726.86
    1-methoxy-2-propanol 716.12
    pyridine 852.76
    3-pentanone 586.1
    furfural 497.1
    n-dodecane 21.77
    diethylene glycol 329.23
    diisopropyl ether 252.45
    tert-amyl alcohol 768.3
    acetylacetone 588.42
    n-hexadecane 24.04
    acetophenone 250.67
    methyl propionate 717.1
    isopentyl acetate 516.4
    trichloroethylene 1146.74
    n-nonanol 190.37
    cyclohexanol 392.63
    benzyl alcohol 226.03
    2-ethylhexanol 329.88
    isooctanol 182.71
    dipropyl ether 551.32
    1,2-dichlorobenzene 203.16
    ethyl lactate 141.07
    propylene carbonate 419.48
    n-methylformamide 308.45
    2-pentanol 605.57
    n-pentane 81.35
    1-propoxy-2-propanol 546.7
    1-methoxy-2-propyl acetate 506.79
    2-(2-methoxypropoxy) propanol 318.92
    mesitylene 105.69
    ε-caprolactone 580.84
    p-cymene 107.1
    epichlorohydrin 1014.62
    1,1,1-trichloroethane 649.41
    2-aminoethanol 263.11
    morpholine-4-carbaldehyde 516.95
    sulfolane 443.97
    2,2,4-trimethylpentane 39.57
    2-methyltetrahydrofuran 1110.56
    n-hexyl acetate 380.89
    isooctane 38.18
    2-(2-butoxyethoxy)ethanol 504.07
    sec-butyl acetate 307.02
    tert-butyl acetate 462.33
    decalin 47.26
    glycerin 199.27
    diglyme 805.52
    acrylic acid 256.82
    isopropyl myristate 154.11
    n-butyric acid 794.88
    acetyl acetate 439.86
    di(2-ethylhexyl) phthalate 118.08
    ethyl propionate 435.2
    nitromethane 793.96
    1,2-diethoxyethane 727.87
    benzonitrile 299.88
    trioctyl phosphate 93.33
    1-bromopropane 553.79
    gamma-valerolactone 822.7
    n-decanol 144.66
    triethyl phosphate 125.64
    4-methyl-2-pentanol 271.33
    propionitrile 846.27
    vinylene carbonate 346.12
    1,1,2-trichlorotrifluoroethane 408.77
    DMS 232.08
    cumene 108.07
    2-octanol 151.79
    2-hexanone 484.21
    octyl acetate 184.71
    limonene 165.33
    1,2-dimethoxyethane 832.6
    ethyl orthosilicate 132.86
    tributyl phosphate 119.81
    diacetone alcohol 448.64
    N,N-dimethylaniline 186.24
    acrylonitrile 655.85
    aniline 343.95
    1,3-propanediol 434.98
    bromobenzene 292.25
    dibromomethane 740.35
    1,1,2,2-tetrachloroethane 840.03
    2-methyl-cyclohexyl acetate 242.93
    tetrabutyl urea 135.58
    diisobutyl methanol 176.44
    2-phenylethanol 270.99
    styrene 193.18
    dioctyl adipate 196.43
    dimethyl sulfate 191.99
    ethyl butyrate 451.39
    methyl lactate 190.74
    butyl lactate 168.47
    diethyl carbonate 252.86
    propanediol butyl ether 295.92
    triethyl orthoformate 241.12
    p-tert-butyltoluene 107.43
    methyl 4-tert-butylbenzoate 228.43
    morpholine 1645.04
    tert-butylamine 685.49
    n-dodecanol 113.39
    dimethoxymethane 598.73
    ethylene carbonate 337.79
    cyrene 210.58
    2-ethoxyethyl acetate 369.91
    2-ethylhexyl acetate 384.46
    1,2,4-trichlorobenzene 233.17
    4-methylpyridine 678.49
    dibutyl ether 346.94
    2,6-dimethyl-4-heptanol 176.44
    DEF 571.5
    dimethyl isosorbide 447.16
    tetrachloroethylene 439.54
    eugenol 217.79
    triacetin 277.43
    span 80 288.04
    1,4-butanediol 116.16
    1,1-dichloroethane 874.69
    2-methyl-1-pentanol 344.43
    methyl formate 220.49
    2-methyl-1-butanol 545.08
    n-decane 37.88
    butyronitrile 907.0
    3,7-dimethyl-1-octanol 222.34
    1-chlorooctane 144.86
    1-chlorotetradecane 57.5
    n-nonane 38.18
    undecane 27.22
    tert-butylcyclohexane 52.14
    cyclooctane 33.32
    cyclopentanol 351.84
    tetrahydropyran 1450.57
    tert-amyl methyl ether 523.59
    2,5,8-trioxanonane 514.89
    1-hexene 363.54
    2-isopropoxyethanol 332.18
    2,2,2-trifluoroethanol 100.58
    methyl butyrate 516.36

    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