Phenol, 2-ethoxy-4-[(1-methylethoxy)methyl]-

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  • Identifiers

    CAS number
    96840-56-1

    Molecular formula
    C12H18O3

    SMILES
    CCOC1=C(C=CC(=C1)COC(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 81.36%
    Sweet 70.94%
    Spicy 57.34%
    Phenolic 55.65%
    Creamy 48.72%
    Balsamic 48.55%
    Smoky 46.91%
    Powdery 40.79%
    Woody 37.77%
    Clove 35.9%

     

    Flavor
    Sweet 60.85%
    Spicy 52.09%
    Vanilla 40.44%
    Spice 38.35%
    Smoky 38.3%
    Woody 36.46%
    Phenolic 35.19%
    Bitter 32.4%
    Floral 32.34%
    Clove 32.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.15 (weak base)

    Molecular weight
    210.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    281°C

    Flash point

    • 122.59 ˚C est.

  • Synonyms

    • Phenol, 2-ethoxy-4-[(1-methylethoxy)methyl]-
    • DTXSID8051411
    • Phenol, 2-ethoxy-4-((1-methylethoxy)methyl)-
    • RefChem:860845
    • DTXCID2030013
    • 96840-56-1
    • phenol,2-ethoxy-4-[(1-methylethoxy)methyl]-
    • SCHEMBL3156186
    • YZRQXLRQRMJMCX-UHFFFAOYSA-N
    • 2-Ethoxy-4-{[(propan-2-yl)oxy]methyl}phenol
    • 96840-56-1

  • Applications

    Phenol, 2-ethoxy-4-[(1-methylethoxy)methyl]- (CAS 96840-56-1) is a substituted phenol bearing ether groups, typically used as an industrial intermediate and processing additive. In polymer and plastics chemistry, it can serve as a precursor or modifier for phenolic resins and other thermosetting systems. It may function as a reactive solvent or solvent component in coatings, inks, and adhesive formulations, helping to control viscosity and curing behavior. The protected-ether structure makes it a useful intermediate in organic synthesis, including protection/deprotection steps and the preparation of specialty chemicals. In specialty chemical production, it may be evaluated as a building block for fine chemicals, while formulations in general industrial manufacturing may use it under appropriate regulatory and formulation limits. The described applications are primarily process chemistry and product development oriented, such as polymers/plastics, coatings/inks, adhesives, and intermediates for pharmaceuticals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 568.88
    methanol 565.96
    isopropanol 405.08
    water 0.45
    ethyl acetate 586.34
    n-propanol 418.29
    acetone 933.64
    n-butanol 369.92
    acetonitrile 579.2
    DMF 836.63
    toluene 107.81
    isobutanol 284.37
    1,4-dioxane 676.24
    methyl acetate 641.9
    THF 893.89
    2-butanone 583.65
    n-pentanol 270.0
    sec-butanol 344.7
    n-hexane 28.46
    ethylene glycol 168.64
    NMP 478.73
    cyclohexane 41.18
    DMSO 1814.29
    n-butyl acetate 485.85
    n-octanol 132.76
    chloroform 1213.94
    n-propyl acetate 361.15
    acetic acid 621.03
    dichloromethane 1318.28
    cyclohexanone 584.17
    propylene glycol 288.1
    isopropyl acetate 292.86
    DMAc 688.06
    2-ethoxyethanol 519.35
    isopentanol 308.83
    n-heptane 17.7
    ethyl formate 346.36
    1,2-dichloroethane 916.75
    n-hexanol 273.18
    2-methoxyethanol 704.03
    isobutyl acetate 224.29
    tetrachloromethane 140.93
    n-pentyl acetate 197.65
    transcutol 1402.8
    n-heptanol 108.01
    ethylbenzene 98.07
    MIBK 234.13
    2-propoxyethanol 445.94
    tert-butanol 637.69
    MTBE 499.65
    2-butoxyethanol 222.28
    propionic acid 409.67
    o-xylene 104.35
    formic acid 174.37
    diethyl ether 444.57
    m-xylene 100.25
    p-xylene 138.87
    chlorobenzene 275.51
    dimethyl carbonate 205.81
    n-octane 10.97
    formamide 339.91
    cyclopentanone 752.69
    2-pentanone 421.01
    anisole 272.29
    cyclopentyl methyl ether 336.54
    gamma-butyrolactone 812.44
    1-methoxy-2-propanol 493.52
    pyridine 422.26
    3-pentanone 320.28
    furfural 655.75
    n-dodecane 11.48
    diethylene glycol 402.32
    diisopropyl ether 108.58
    tert-amyl alcohol 467.77
    acetylacetone 540.76
    n-hexadecane 13.01
    acetophenone 272.17
    methyl propionate 411.62
    isopentyl acetate 385.15
    trichloroethylene 1429.95
    n-nonanol 113.55
    cyclohexanol 274.12
    benzyl alcohol 227.32
    2-ethylhexanol 167.12
    isooctanol 93.91
    dipropyl ether 171.5
    1,2-dichlorobenzene 281.69
    ethyl lactate 182.46
    propylene carbonate 453.14
    n-methylformamide 376.54
    2-pentanol 239.84
    n-pentane 19.87
    1-propoxy-2-propanol 331.57
    1-methoxy-2-propyl acetate 358.99
    2-(2-methoxypropoxy) propanol 281.37
    mesitylene 70.88
    ε-caprolactone 499.21
    p-cymene 81.61
    epichlorohydrin 965.15
    1,1,1-trichloroethane 680.36
    2-aminoethanol 281.14
    morpholine-4-carbaldehyde 584.93
    sulfolane 986.37
    2,2,4-trimethylpentane 24.41
    2-methyltetrahydrofuran 593.48
    n-hexyl acetate 289.43
    isooctane 16.96
    2-(2-butoxyethoxy)ethanol 374.45
    sec-butyl acetate 233.94
    tert-butyl acetate 340.86
    decalin 32.47
    glycerin 319.51
    diglyme 710.18
    acrylic acid 349.22
    isopropyl myristate 114.36
    n-butyric acid 474.4
    acetyl acetate 397.78
    di(2-ethylhexyl) phthalate 111.17
    ethyl propionate 274.94
    nitromethane 1043.22
    1,2-diethoxyethane 437.76
    benzonitrile 285.55
    trioctyl phosphate 85.75
    1-bromopropane 396.55
    gamma-valerolactone 703.29
    n-decanol 86.93
    triethyl phosphate 145.44
    4-methyl-2-pentanol 134.05
    propionitrile 356.82
    vinylene carbonate 411.79
    1,1,2-trichlorotrifluoroethane 667.13
    DMS 292.88
    cumene 80.38
    2-octanol 82.11
    2-hexanone 315.36
    octyl acetate 146.56
    limonene 120.36
    1,2-dimethoxyethane 716.89
    ethyl orthosilicate 135.54
    tributyl phosphate 125.41
    diacetone alcohol 372.04
    N,N-dimethylaniline 171.99
    acrylonitrile 437.17
    aniline 222.33
    1,3-propanediol 368.49
    bromobenzene 289.76
    dibromomethane 845.5
    1,1,2,2-tetrachloroethane 1180.1
    2-methyl-cyclohexyl acetate 224.28
    tetrabutyl urea 143.73
    diisobutyl methanol 101.27
    2-phenylethanol 219.86
    styrene 126.14
    dioctyl adipate 181.92
    dimethyl sulfate 344.54
    ethyl butyrate 276.46
    methyl lactate 224.93
    butyl lactate 186.7
    diethyl carbonate 221.06
    propanediol butyl ether 276.52
    triethyl orthoformate 183.8
    p-tert-butyltoluene 79.05
    methyl 4-tert-butylbenzoate 210.47
    morpholine 794.33
    tert-butylamine 326.1
    n-dodecanol 69.49
    dimethoxymethane 435.91
    ethylene carbonate 355.04
    cyrene 246.11
    2-ethoxyethyl acetate 301.35
    2-ethylhexyl acetate 290.09
    1,2,4-trichlorobenzene 353.05
    4-methylpyridine 412.03
    dibutyl ether 186.21
    2,6-dimethyl-4-heptanol 101.27
    DEF 410.57
    dimethyl isosorbide 406.84
    tetrachloroethylene 642.22
    eugenol 210.89
    triacetin 320.16
    span 80 212.85
    1,4-butanediol 195.79
    1,1-dichloroethane 796.7
    2-methyl-1-pentanol 248.98
    methyl formate 361.61
    2-methyl-1-butanol 285.8
    n-decane 18.81
    butyronitrile 366.69
    3,7-dimethyl-1-octanol 148.12
    1-chlorooctane 96.89
    1-chlorotetradecane 39.72
    n-nonane 18.44
    undecane 13.97
    tert-butylcyclohexane 32.29
    cyclooctane 14.32
    cyclopentanol 276.79
    tetrahydropyran 555.99
    tert-amyl methyl ether 305.06
    2,5,8-trioxanonane 474.14
    1-hexene 131.49
    2-isopropoxyethanol 350.97
    2,2,2-trifluoroethanol 220.68
    methyl butyrate 378.92

    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