Phenol, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-2-ethoxy-

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  • Identifiers

    CAS number
    69367-40-4

    Molecular formula
    C14H20O4

    SMILES
    CCOC1=C(C=CC(=C1)C2OCC(CO2)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 76.4%
    Vanilla 72.45%
    Spicy 55.06%
    Phenolic 52.94%
    Creamy 45.36%
    Powdery 44.39%
    Balsamic 42.02%
    Smoky 40.64%
    Woody 36.66%
    Floral 34.75%

     

    Flavor
    Bitter 61.48%
    Sweet 43.71%
    Woody 43.05%
    Spicy 34.38%
    Vanilla 32.33%
    Spice 31.59%
    Powdery 29.39%
    Smoky 28.44%
    Earthy 26.85%
    Phenolic 25.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.07 (weak base)

    Molecular weight
    252.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point

    • 139.8 ˚C est.

  • Synonyms

    • 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-2-ethoxyphenol
    • EINECS 273-976-0
    • Phenol, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-2-ethoxy-
    • DTXSID4071976
    • RefChem:172805
    • DTXCID4046492
    • 273-976-0
    • 69367-40-4
    • SCHEMBL14323699
    • XEFZTJTXHMGSFR-UHFFFAOYSA-N
    • NS00061899
    • 69367-40-4

  • Applications

    Phenol, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-2-ethoxy- (CAS 69367-40-4) is primarily used as an organic synthesis intermediate and as a protecting group for diols in carbohydrate chemistry, enabling selective functionalization on the phenolic core; it also serves as a precursor to specialty chemicals and as a building block for polymers, coatings, and adhesives, and may appear as an intermediate in pharmaceutical synthesis under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 763.27
    methanol 954.21
    isopropanol 413.27
    water 2.43
    ethyl acetate 926.32
    n-propanol 450.62
    acetone 697.49
    n-butanol 409.27
    acetonitrile 720.42
    DMF 782.68
    toluene 162.62
    isobutanol 284.37
    1,4-dioxane 584.09
    methyl acetate 683.78
    THF 962.09
    2-butanone 462.19
    n-pentanol 247.77
    sec-butanol 318.82
    n-hexane 9.61
    ethylene glycol 184.08
    NMP 399.25
    cyclohexane 22.63
    DMSO 895.54
    n-butyl acetate 470.01
    n-octanol 140.66
    chloroform 1190.1
    n-propyl acetate 423.15
    acetic acid 1499.76
    dichloromethane 1113.17
    cyclohexanone 428.9
    propylene glycol 230.6
    isopropyl acetate 511.17
    DMAc 629.65
    2-ethoxyethanol 661.1
    isopentanol 342.95
    n-heptane 13.44
    ethyl formate 546.92
    1,2-dichloroethane 667.86
    n-hexanol 263.45
    2-methoxyethanol 1128.18
    isobutyl acetate 280.89
    tetrachloromethane 86.28
    n-pentyl acetate 229.17
    transcutol 1836.94
    n-heptanol 148.06
    ethylbenzene 94.03
    MIBK 323.1
    2-propoxyethanol 596.91
    tert-butanol 538.93
    MTBE 461.37
    2-butoxyethanol 351.83
    propionic acid 496.42
    o-xylene 105.22
    formic acid 728.86
    diethyl ether 438.53
    m-xylene 123.4
    p-xylene 124.49
    chlorobenzene 266.96
    dimethyl carbonate 331.92
    n-octane 7.94
    formamide 1107.23
    cyclopentanone 567.63
    2-pentanone 482.3
    anisole 291.36
    cyclopentyl methyl ether 358.05
    gamma-butyrolactone 724.45
    1-methoxy-2-propanol 761.98
    pyridine 484.58
    3-pentanone 275.48
    furfural 722.21
    n-dodecane 7.73
    diethylene glycol 525.53
    diisopropyl ether 127.77
    tert-amyl alcohol 410.27
    acetylacetone 733.66
    n-hexadecane 8.83
    acetophenone 298.52
    methyl propionate 529.22
    isopentyl acetate 438.84
    trichloroethylene 1422.27
    n-nonanol 126.45
    cyclohexanol 240.76
    benzyl alcohol 278.53
    2-ethylhexanol 160.55
    isooctanol 131.12
    dipropyl ether 166.08
    1,2-dichlorobenzene 258.5
    ethyl lactate 223.33
    propylene carbonate 498.11
    n-methylformamide 613.65
    2-pentanol 292.9
    n-pentane 12.51
    1-propoxy-2-propanol 376.74
    1-methoxy-2-propyl acetate 499.99
    2-(2-methoxypropoxy) propanol 313.89
    mesitylene 76.72
    ε-caprolactone 471.86
    p-cymene 81.08
    epichlorohydrin 996.58
    1,1,1-trichloroethane 503.54
    2-aminoethanol 369.56
    morpholine-4-carbaldehyde 647.79
    sulfolane 608.21
    2,2,4-trimethylpentane 16.57
    2-methyltetrahydrofuran 517.81
    n-hexyl acetate 303.68
    isooctane 13.37
    2-(2-butoxyethoxy)ethanol 463.55
    sec-butyl acetate 297.09
    tert-butyl acetate 513.4
    decalin 16.06
    glycerin 374.62
    diglyme 893.56
    acrylic acid 493.62
    isopropyl myristate 112.04
    n-butyric acid 757.91
    acetyl acetate 685.43
    di(2-ethylhexyl) phthalate 116.51
    ethyl propionate 322.51
    nitromethane 1914.27
    1,2-diethoxyethane 460.32
    benzonitrile 326.73
    trioctyl phosphate 89.83
    1-bromopropane 251.53
    gamma-valerolactone 698.6
    n-decanol 88.4
    triethyl phosphate 137.32
    4-methyl-2-pentanol 178.97
    propionitrile 368.48
    vinylene carbonate 499.62
    1,1,2-trichlorotrifluoroethane 862.62
    DMS 308.49
    cumene 70.71
    2-octanol 94.26
    2-hexanone 279.95
    octyl acetate 147.16
    limonene 107.96
    1,2-dimethoxyethane 723.03
    ethyl orthosilicate 134.77
    tributyl phosphate 120.67
    diacetone alcohol 515.9
    N,N-dimethylaniline 170.72
    acrylonitrile 519.07
    aniline 268.26
    1,3-propanediol 603.05
    bromobenzene 267.17
    dibromomethane 616.35
    1,1,2,2-tetrachloroethane 966.43
    2-methyl-cyclohexyl acetate 209.91
    tetrabutyl urea 126.46
    diisobutyl methanol 105.0
    2-phenylethanol 259.0
    styrene 125.17
    dioctyl adipate 176.86
    dimethyl sulfate 377.61
    ethyl butyrate 299.32
    methyl lactate 319.88
    butyl lactate 202.37
    diethyl carbonate 225.95
    propanediol butyl ether 323.85
    triethyl orthoformate 199.03
    p-tert-butyltoluene 83.2
    methyl 4-tert-butylbenzoate 241.45
    morpholine 767.6
    tert-butylamine 256.98
    n-dodecanol 65.56
    dimethoxymethane 701.11
    ethylene carbonate 408.86
    cyrene 251.62
    2-ethoxyethyl acetate 397.58
    2-ethylhexyl acetate 303.03
    1,2,4-trichlorobenzene 321.94
    4-methylpyridine 464.74
    dibutyl ether 148.57
    2,6-dimethyl-4-heptanol 105.0
    DEF 460.72
    dimethyl isosorbide 452.96
    tetrachloroethylene 559.64
    eugenol 238.94
    triacetin 367.48
    span 80 224.82
    1,4-butanediol 202.69
    1,1-dichloroethane 612.63
    2-methyl-1-pentanol 241.54
    methyl formate 567.85
    2-methyl-1-butanol 294.28
    n-decane 12.94
    butyronitrile 419.15
    3,7-dimethyl-1-octanol 155.34
    1-chlorooctane 77.39
    1-chlorotetradecane 29.52
    n-nonane 11.53
    undecane 9.51
    tert-butylcyclohexane 16.99
    cyclooctane 9.92
    cyclopentanol 226.23
    tetrahydropyran 437.44
    tert-amyl methyl ether 297.15
    2,5,8-trioxanonane 525.26
    1-hexene 57.74
    2-isopropoxyethanol 422.69
    2,2,2-trifluoroethanol 465.73
    methyl butyrate 413.65

    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