Phenol, 2-ethoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)-

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  • Identifiers

    CAS number
    52514-67-7

    Molecular formula
    C15H22O4

    SMILES
    CCOC1=C(C=CC(=C1)C2OC(CC(O2)(C)C)C)O

  • Odor profile

    Fragrance
    Sweet 78.15%
    Vanilla 75.54%
    Creamy 53.99%
    Phenolic 52.63%
    Spicy 45.36%
    Powdery 39.56%
    Smoky 39.35%
    Balsamic 34.12%
    Aromatic 29.63%
    Clove 28.21%

     

    Flavor
    Bitter 50.69%
    Sweet 42.54%
    Woody 38.14%
    Spicy 34.27%
    Spice 33.2%
    Earthy 29.67%
    Musty 27.9%
    Smoky 26.79%
    Vanilla 25.87%
    Herbal 25.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.9 (weak base)

    Molecular weight
    266.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point

    • 137.94 ˚C est.

  • Synonyms

    • 52514-67-7
    • 2-Ethoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
    • EINECS 257-987-8
    • Phenol, 2-ethoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)-
    • DTXSID00886008
    • ethyl vanillin hexylene glycol acetal
    • Phenol,2-ethoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)-
    • RTAZBUSLAYSJCD-UHFFFAOYSA-N
    • DTXCID801025358
    • DB-313964
    • NS00057947
    • 257-987-8

  • Applications

    Phenol, 2-ethoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)- (CAS 52514-67-7) is primarily used as an organic synthesis intermediate and as a protecting group for phenolic chemistry, enabling selective functionalization in multistep routes. In practice, it serves as a building block in fragrance ingredient synthesis and in cosmetics/personal care formulation; it can also function as a starting material for pharmaceutical intermediates and for specialty polymers/resins. Additionally, it may be utilized in coatings and inks applications as a precursor to resin systems, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 345.11
    methanol 351.06
    isopropanol 240.64
    water 0.79
    ethyl acetate 472.44
    n-propanol 299.16
    acetone 568.26
    n-butanol 260.04
    acetonitrile 319.41
    DMF 844.67
    toluene 112.54
    isobutanol 215.19
    1,4-dioxane 433.68
    methyl acetate 449.82
    THF 793.32
    2-butanone 404.64
    n-pentanol 190.28
    sec-butanol 235.42
    n-hexane 17.17
    ethylene glycol 106.26
    NMP 623.58
    cyclohexane 22.22
    DMSO 1216.95
    n-butyl acetate 354.88
    n-octanol 125.05
    chloroform 1068.82
    n-propyl acetate 276.58
    acetic acid 629.5
    dichloromethane 947.94
    cyclohexanone 486.95
    propylene glycol 164.01
    isopropyl acetate 313.5
    DMAc 838.85
    2-ethoxyethanol 380.57
    isopentanol 247.75
    n-heptane 11.19
    ethyl formate 255.56
    1,2-dichloroethane 640.42
    n-hexanol 216.14
    2-methoxyethanol 537.07
    isobutyl acetate 219.68
    tetrachloromethane 96.51
    n-pentyl acetate 204.44
    transcutol 1504.32
    n-heptanol 101.77
    ethylbenzene 80.48
    MIBK 242.68
    2-propoxyethanol 410.98
    tert-butanol 360.7
    MTBE 373.28
    2-butoxyethanol 217.74
    propionic acid 339.91
    o-xylene 96.34
    formic acid 252.2
    diethyl ether 349.82
    m-xylene 105.69
    p-xylene 109.94
    chlorobenzene 257.01
    dimethyl carbonate 264.42
    n-octane 6.93
    formamide 368.58
    cyclopentanone 603.24
    2-pentanone 359.46
    anisole 223.99
    cyclopentyl methyl ether 350.09
    gamma-butyrolactone 746.12
    1-methoxy-2-propanol 428.93
    pyridine 296.97
    3-pentanone 299.72
    furfural 548.27
    n-dodecane 7.91
    diethylene glycol 339.95
    diisopropyl ether 114.13
    tert-amyl alcohol 312.28
    acetylacetone 528.98
    n-hexadecane 9.18
    acetophenone 253.62
    methyl propionate 396.43
    isopentyl acetate 335.37
    trichloroethylene 1119.11
    n-nonanol 110.75
    cyclohexanol 231.13
    benzyl alcohol 192.04
    2-ethylhexanol 142.18
    isooctanol 90.05
    dipropyl ether 137.46
    1,2-dichlorobenzene 270.56
    ethyl lactate 169.41
    propylene carbonate 460.28
    n-methylformamide 362.42
    2-pentanol 202.5
    n-pentane 15.43
    1-propoxy-2-propanol 277.95
    1-methoxy-2-propyl acetate 380.65
    2-(2-methoxypropoxy) propanol 283.13
    mesitylene 67.29
    ε-caprolactone 498.71
    p-cymene 70.35
    epichlorohydrin 842.12
    1,1,1-trichloroethane 494.82
    2-aminoethanol 188.72
    morpholine-4-carbaldehyde 636.29
    sulfolane 897.72
    2,2,4-trimethylpentane 18.2
    2-methyltetrahydrofuran 514.09
    n-hexyl acetate 307.79
    isooctane 13.02
    2-(2-butoxyethoxy)ethanol 377.97
    sec-butyl acetate 222.82
    tert-butyl acetate 355.58
    decalin 20.16
    glycerin 252.97
    diglyme 672.6
    acrylic acid 315.79
    isopropyl myristate 117.46
    n-butyric acid 413.35
    acetyl acetate 400.74
    di(2-ethylhexyl) phthalate 120.73
    ethyl propionate 246.79
    nitromethane 920.34
    1,2-diethoxyethane 375.05
    benzonitrile 234.06
    trioctyl phosphate 92.85
    1-bromopropane 295.17
    gamma-valerolactone 699.3
    n-decanol 82.21
    triethyl phosphate 136.27
    4-methyl-2-pentanol 133.31
    propionitrile 220.75
    vinylene carbonate 413.06
    1,1,2-trichlorotrifluoroethane 619.99
    DMS 340.64
    cumene 67.0
    2-octanol 78.24
    2-hexanone 237.5
    octyl acetate 154.57
    limonene 96.07
    1,2-dimethoxyethane 516.4
    ethyl orthosilicate 126.39
    tributyl phosphate 134.19
    diacetone alcohol 351.05
    N,N-dimethylaniline 162.34
    acrylonitrile 282.22
    aniline 198.36
    1,3-propanediol 275.05
    bromobenzene 266.22
    dibromomethane 606.3
    1,1,2,2-tetrachloroethane 905.75
    2-methyl-cyclohexyl acetate 195.72
    tetrabutyl urea 149.47
    diisobutyl methanol 82.81
    2-phenylethanol 198.83
    styrene 93.73
    dioctyl adipate 180.36
    dimethyl sulfate 442.94
    ethyl butyrate 216.77
    methyl lactate 246.58
    butyl lactate 183.91
    diethyl carbonate 179.24
    propanediol butyl ether 272.53
    triethyl orthoformate 168.41
    p-tert-butyltoluene 68.65
    methyl 4-tert-butylbenzoate 229.19
    morpholine 541.53
    tert-butylamine 186.77
    n-dodecanol 63.6
    dimethoxymethane 524.82
    ethylene carbonate 365.05
    cyrene 244.46
    2-ethoxyethyl acetate 329.12
    2-ethylhexyl acetate 263.82
    1,2,4-trichlorobenzene 327.69
    4-methylpyridine 378.93
    dibutyl ether 151.92
    2,6-dimethyl-4-heptanol 82.81
    DEF 409.7
    dimethyl isosorbide 425.93
    tetrachloroethylene 489.16
    eugenol 198.71
    triacetin 366.21
    span 80 218.22
    1,4-butanediol 131.22
    1,1-dichloroethane 540.51
    2-methyl-1-pentanol 195.14
    methyl formate 334.81
    2-methyl-1-butanol 239.05
    n-decane 14.05
    butyronitrile 227.11
    3,7-dimethyl-1-octanol 139.59
    1-chlorooctane 84.23
    1-chlorotetradecane 32.07
    n-nonane 12.71
    undecane 10.07
    tert-butylcyclohexane 20.79
    cyclooctane 9.56
    cyclopentanol 226.94
    tetrahydropyran 409.58
    tert-amyl methyl ether 267.47
    2,5,8-trioxanonane 445.4
    1-hexene 79.75
    2-isopropoxyethanol 278.94
    2,2,2-trifluoroethanol 278.29
    methyl butyrate 301.53

    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