4-(Butoxymethyl)phenol

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  • Identifiers

    CAS number
    57726-27-9

    Molecular formula
    C11H16O2

    SMILES
    CCCCOCC1=CC=C(C=C1)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 85.3%
    Floral 62.84%
    Vanilla 56.54%
    Fruity 50.18%
    Anisic 49.7%
    Phenolic 46.98%
    Aromatic 44.19%
    Balsamic 42.39%
    Spicy 36.56%
    Cherry 36.41%

     

    Flavor
    Sweet 66.35%
    Spicy 52.21%
    Floral 49.96%
    Fruity 40.95%
    Rose 32.3%
    Chocolate 32.01%
    Balsam 31.7%
    Vanilla 31.28%
    Powdery 30.88%
    Phenolic 30.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.35 (weak base)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 128.57 ˚C est.

  • Synonyms

    • 4-(BUTOXYMETHYL)PHENOL
    • Phenol, 4-(butoxymethyl)-
    • 57726-27-9
    • alpha-Butoxy-p-cresol
    • T6U2MG9X58
    • .ALPHA.-BUTOXY-P-CRESOL
    • DTXSID60558032
    • RefChem:97381
    • DTXCID40508813
    • UNII-T6U2MG9X58
    • 4-butoxymethylphenol
    • SCHEMBL157127
    • SCHEMBL1839898
    • CHEBI:193489
    • 57726-27-9

  • Applications

    4-(Butoxymethyl)phenol (CAS number: 57726-27-9) is primarily used as an intermediate in chemical synthesis for phenolic resins and as a crosslinking or functionalizing agent in coatings and adhesives. It also serves as a building block for specialty polymers and polymer additives. In fragrance and cosmetics development, it may be evaluated as a phenolic intermediate for formulation work. More broadly, it can act as a reactive building block for synthesizing functionalized phenolic compounds, with uses restricted by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3973.25
    methanol 3902.53
    isopropanol 2340.9
    water 0.36
    ethyl acetate 3216.51
    n-propanol 2642.73
    acetone 2188.87
    n-butanol 2101.54
    acetonitrile 2856.84
    DMF 625.26
    toluene 259.45
    isobutanol 1360.54
    1,4-dioxane 2708.69
    methyl acetate 1857.58
    THF 2047.95
    2-butanone 1602.69
    n-pentanol 1277.33
    sec-butanol 1606.78
    n-hexane 94.97
    ethylene glycol 390.59
    NMP 214.4
    cyclohexane 117.06
    DMSO 2338.25
    n-butyl acetate 1183.53
    n-octanol 249.13
    chloroform 1923.11
    n-propyl acetate 1185.8
    acetic acid 1794.99
    dichloromethane 1888.81
    cyclohexanone 1033.89
    propylene glycol 800.09
    isopropyl acetate 1159.16
    DMAc 531.88
    2-ethoxyethanol 1665.87
    isopentanol 1342.7
    n-heptane 48.02
    ethyl formate 912.57
    1,2-dichloroethane 1616.14
    n-hexanol 1019.71
    2-methoxyethanol 2745.62
    isobutyl acetate 576.13
    tetrachloromethane 171.33
    n-pentyl acetate 356.4
    transcutol 4227.15
    n-heptanol 259.02
    ethylbenzene 142.69
    MIBK 641.4
    2-propoxyethanol 1433.45
    tert-butanol 2440.85
    MTBE 1873.07
    2-butoxyethanol 519.59
    propionic acid 1208.34
    o-xylene 136.81
    formic acid 409.18
    diethyl ether 3057.83
    m-xylene 176.6
    p-xylene 161.78
    chlorobenzene 359.19
    dimethyl carbonate 279.41
    n-octane 19.98
    formamide 696.81
    cyclopentanone 793.56
    2-pentanone 1389.57
    anisole 458.6
    cyclopentyl methyl ether 797.94
    gamma-butyrolactone 940.75
    1-methoxy-2-propanol 1777.77
    pyridine 1129.08
    3-pentanone 717.23
    furfural 761.34
    n-dodecane 18.21
    diethylene glycol 1001.78
    diisopropyl ether 429.01
    tert-amyl alcohol 1378.2
    acetylacetone 1136.25
    n-hexadecane 20.31
    acetophenone 351.78
    methyl propionate 1233.84
    isopentyl acetate 828.07
    trichloroethylene 2120.48
    n-nonanol 212.6
    cyclohexanol 742.07
    benzyl alcohol 400.98
    2-ethylhexanol 433.34
    isooctanol 216.06
    dipropyl ether 692.33
    1,2-dichlorobenzene 299.51
    ethyl lactate 304.96
    propylene carbonate 581.24
    n-methylformamide 666.68
    2-pentanol 1285.48
    n-pentane 79.56
    1-propoxy-2-propanol 967.64
    1-methoxy-2-propyl acetate 813.68
    2-(2-methoxypropoxy) propanol 470.03
    mesitylene 115.09
    ε-caprolactone 871.39
    p-cymene 97.24
    epichlorohydrin 1678.93
    1,1,1-trichloroethane 936.53
    2-aminoethanol 1070.54
    morpholine-4-carbaldehyde 759.54
    sulfolane 776.74
    2,2,4-trimethylpentane 44.2
    2-methyltetrahydrofuran 1340.49
    n-hexyl acetate 476.78
    isooctane 48.0
    2-(2-butoxyethoxy)ethanol 775.37
    sec-butyl acetate 616.63
    tert-butyl acetate 887.98
    decalin 51.04
    glycerin 696.17
    diglyme 1367.64
    acrylic acid 668.86
    isopropyl myristate 171.28
    n-butyric acid 1873.62
    acetyl acetate 885.56
    di(2-ethylhexyl) phthalate 136.96
    ethyl propionate 740.36
    nitromethane 2406.01
    1,2-diethoxyethane 1404.22
    benzonitrile 424.48
    trioctyl phosphate 106.22
    1-bromopropane 949.05
    gamma-valerolactone 1131.29
    n-decanol 154.12
    triethyl phosphate 177.54
    4-methyl-2-pentanol 479.87
    propionitrile 1438.61
    vinylene carbonate 496.96
    1,1,2-trichlorotrifluoroethane 971.22
    DMS 378.15
    cumene 106.32
    2-octanol 160.57
    2-hexanone 935.36
    octyl acetate 206.53
    limonene 158.08
    1,2-dimethoxyethane 2057.47
    ethyl orthosilicate 186.47
    tributyl phosphate 157.19
    diacetone alcohol 855.82
    N,N-dimethylaniline 212.37
    acrylonitrile 1217.24
    aniline 463.74
    1,3-propanediol 1517.94
    bromobenzene 348.17
    dibromomethane 1239.04
    1,1,2,2-tetrachloroethane 1692.32
    2-methyl-cyclohexyl acetate 322.62
    tetrabutyl urea 172.88
    diisobutyl methanol 230.39
    2-phenylethanol 396.44
    styrene 212.11
    dioctyl adipate 247.22
    dimethyl sulfate 296.24
    ethyl butyrate 626.9
    methyl lactate 371.71
    butyl lactate 275.0
    diethyl carbonate 380.02
    propanediol butyl ether 512.69
    triethyl orthoformate 350.91
    p-tert-butyltoluene 101.87
    methyl 4-tert-butylbenzoate 248.14
    morpholine 3243.47
    tert-butylamine 1346.85
    n-dodecanol 119.29
    dimethoxymethane 1178.87
    ethylene carbonate 512.61
    cyrene 287.48
    2-ethoxyethyl acetate 562.86
    2-ethylhexyl acetate 536.05
    1,2,4-trichlorobenzene 334.46
    4-methylpyridine 771.13
    dibutyl ether 451.82
    2,6-dimethyl-4-heptanol 230.39
    DEF 965.12
    dimethyl isosorbide 562.81
    tetrachloroethylene 982.77
    eugenol 272.65
    triacetin 420.76
    span 80 382.32
    1,4-butanediol 506.86
    1,1-dichloroethane 1544.22
    2-methyl-1-pentanol 779.35
    methyl formate 458.98
    2-methyl-1-butanol 1061.1
    n-decane 32.07
    butyronitrile 1495.42
    3,7-dimethyl-1-octanol 277.53
    1-chlorooctane 146.15
    1-chlorotetradecane 54.59
    n-nonane 31.86
    undecane 22.9
    tert-butylcyclohexane 56.62
    cyclooctane 31.81
    cyclopentanol 574.75
    tetrahydropyran 2473.64
    tert-amyl methyl ether 804.91
    2,5,8-trioxanonane 814.47
    1-hexene 532.25
    2-isopropoxyethanol 949.68
    2,2,2-trifluoroethanol 292.75
    methyl butyrate 1030.19

    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