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

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  • Identifiers

    CAS number
    53587-16-9

    Molecular formula
    C10H14O2

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 84.03%
    Spicy 81.58%
    Smoky 70.1%
    Woody 66.87%
    Medicinal 58.25%
    Burnt 45.54%
    Leathery 45.38%
    Clove 44.94%
    Sweet 39.41%
    Balsamic 36.85%

     

    Flavor
    Phenolic 61.99%
    Spicy 58.69%
    Spice 58.39%
    Woody 57.41%
    Medicinal 51.68%
    Smoky 43.31%
    Herbal 41.56%
    Camphor 37.87%
    Clove 36.83%
    Bacon 31.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    9.66 (weak base)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 105.77 ˚C est.

  • Synonyms

    • 2-Methoxy-4-(1-methylethyl)phenol
    • Phenol, 2-methoxy-4-(1-methylethyl)-
    • DTXSID50201803
    • RefChem:369050
    • DTXCID40124294
    • 53587-16-9
    • 2-METHOXY-4-(PROPAN-2-YL)PHENOL
    • 4-ISOPROPYL-2-METHOXYPHENOL
    • SCHEMBL2411502
    • SCHEMBL29625307
    • GS2788
    • MB01575
    • 53587-16-9

  • Applications

    Phenol, 2-methoxy-4-(1-methylethyl)- is used in real-world applications across fragrance chemistry and chemical manufacturing. In perfumery and cosmetics, it serves as an odorant and fragrance ingredient and can act as a precursor for more complex fragrance compounds. It is also used in household products as a scent additive to enhance aroma profiles in cleaners and air fresheners. In industrial manufacturing, it may function as a chemical intermediate or additive in the synthesis of specialty chemicals and polymer formulations. Given its phenolic structure and substituents, it may be evaluated as a component in polymer/coat systems as a precursor or additive for coatings, plastics, or adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 961.17
    methanol 615.13
    isopropanol 590.88
    water 0.5
    ethyl acetate 598.13
    n-propanol 704.94
    acetone 896.85
    n-butanol 507.08
    acetonitrile 885.59
    DMF 968.01
    toluene 149.75
    isobutanol 377.56
    1,4-dioxane 1172.13
    methyl acetate 679.29
    THF 1292.11
    2-butanone 646.85
    n-pentanol 258.24
    sec-butanol 392.61
    n-hexane 9.9
    ethylene glycol 165.76
    NMP 405.12
    cyclohexane 39.61
    DMSO 964.98
    n-butyl acetate 370.85
    n-octanol 119.11
    chloroform 1140.0
    n-propyl acetate 260.19
    acetic acid 543.18
    dichloromethane 1536.12
    cyclohexanone 650.11
    propylene glycol 226.55
    isopropyl acetate 182.51
    DMAc 394.42
    2-ethoxyethanol 400.48
    isopentanol 277.42
    n-heptane 21.23
    ethyl formate 625.25
    1,2-dichloroethane 833.16
    n-hexanol 330.54
    2-methoxyethanol 885.05
    isobutyl acetate 135.87
    tetrachloromethane 142.75
    n-pentyl acetate 144.56
    transcutol 622.39
    n-heptanol 126.53
    ethylbenzene 85.43
    MIBK 149.65
    2-propoxyethanol 464.47
    tert-butanol 571.81
    MTBE 347.88
    2-butoxyethanol 224.92
    propionic acid 418.04
    o-xylene 89.61
    formic acid 153.72
    diethyl ether 394.93
    m-xylene 93.93
    p-xylene 109.82
    chlorobenzene 275.2
    dimethyl carbonate 139.83
    n-octane 10.71
    formamide 417.35
    cyclopentanone 843.36
    2-pentanone 389.99
    anisole 213.64
    cyclopentyl methyl ether 277.11
    gamma-butyrolactone 937.86
    1-methoxy-2-propanol 480.96
    pyridine 696.47
    3-pentanone 239.19
    furfural 696.16
    n-dodecane 10.5
    diethylene glycol 338.54
    diisopropyl ether 56.16
    tert-amyl alcohol 366.5
    acetylacetone 349.95
    n-hexadecane 11.99
    acetophenone 181.86
    methyl propionate 376.42
    isopentyl acetate 251.68
    trichloroethylene 1382.85
    n-nonanol 101.64
    cyclohexanol 280.37
    benzyl alcohol 203.02
    2-ethylhexanol 158.9
    isooctanol 94.66
    dipropyl ether 168.6
    1,2-dichlorobenzene 221.2
    ethyl lactate 116.85
    propylene carbonate 459.24
    n-methylformamide 657.31
    2-pentanol 205.95
    n-pentane 14.32
    1-propoxy-2-propanol 288.05
    1-methoxy-2-propyl acetate 247.79
    2-(2-methoxypropoxy) propanol 171.18
    mesitylene 56.12
    ε-caprolactone 493.06
    p-cymene 74.71
    epichlorohydrin 1258.38
    1,1,1-trichloroethane 613.26
    2-aminoethanol 348.4
    morpholine-4-carbaldehyde 570.03
    sulfolane 678.16
    2,2,4-trimethylpentane 12.37
    2-methyltetrahydrofuran 710.81
    n-hexyl acetate 201.37
    isooctane 10.32
    2-(2-butoxyethoxy)ethanol 257.82
    sec-butyl acetate 126.71
    tert-butyl acetate 178.78
    decalin 18.26
    glycerin 243.61
    diglyme 527.83
    acrylic acid 306.08
    isopropyl myristate 75.52
    n-butyric acid 542.99
    acetyl acetate 244.7
    di(2-ethylhexyl) phthalate 81.6
    ethyl propionate 196.9
    nitromethane 1145.44
    1,2-diethoxyethane 255.18
    benzonitrile 302.81
    trioctyl phosphate 63.62
    1-bromopropane 370.42
    gamma-valerolactone 893.61
    n-decanol 79.38
    triethyl phosphate 87.23
    4-methyl-2-pentanol 91.36
    propionitrile 560.24
    vinylene carbonate 468.56
    1,1,2-trichlorotrifluoroethane 485.81
    DMS 150.56
    cumene 59.53
    2-octanol 83.22
    2-hexanone 235.84
    octyl acetate 103.7
    limonene 104.94
    1,2-dimethoxyethane 676.98
    ethyl orthosilicate 81.91
    tributyl phosphate 72.44
    diacetone alcohol 248.96
    N,N-dimethylaniline 112.18
    acrylonitrile 643.79
    aniline 231.31
    1,3-propanediol 514.69
    bromobenzene 273.4
    dibromomethane 853.29
    1,1,2,2-tetrachloroethane 810.79
    2-methyl-cyclohexyl acetate 145.32
    tetrabutyl urea 86.27
    diisobutyl methanol 82.7
    2-phenylethanol 210.49
    styrene 113.39
    dioctyl adipate 119.66
    dimethyl sulfate 175.42
    ethyl butyrate 217.94
    methyl lactate 159.58
    butyl lactate 114.02
    diethyl carbonate 159.81
    propanediol butyl ether 190.52
    triethyl orthoformate 127.96
    p-tert-butyltoluene 72.85
    methyl 4-tert-butylbenzoate 154.39
    morpholine 1266.89
    tert-butylamine 288.45
    n-dodecanol 62.99
    dimethoxymethane 486.87
    ethylene carbonate 390.78
    cyrene 177.08
    2-ethoxyethyl acetate 222.19
    2-ethylhexyl acetate 182.81
    1,2,4-trichlorobenzene 249.08
    4-methylpyridine 492.62
    dibutyl ether 111.04
    2,6-dimethyl-4-heptanol 82.7
    DEF 332.2
    dimethyl isosorbide 298.93
    tetrachloroethylene 465.12
    eugenol 149.03
    triacetin 167.7
    span 80 157.51
    1,4-butanediol 156.08
    1,1-dichloroethane 763.21
    2-methyl-1-pentanol 183.26
    methyl formate 563.86
    2-methyl-1-butanol 269.91
    n-decane 16.29
    butyronitrile 524.96
    3,7-dimethyl-1-octanol 106.22
    1-chlorooctane 75.26
    1-chlorotetradecane 31.77
    n-nonane 14.93
    undecane 12.93
    tert-butylcyclohexane 17.63
    cyclooctane 11.43
    cyclopentanol 374.61
    tetrahydropyran 846.16
    tert-amyl methyl ether 177.74
    2,5,8-trioxanonane 325.28
    1-hexene 63.21
    2-isopropoxyethanol 227.01
    2,2,2-trifluoroethanol 158.73
    methyl butyrate 315.84

    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