1,3-Dioxane, 2,2,5,5-tetramethyl-4-(1-methylethyl)-

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  • Identifiers

    CAS number
    61920-45-4

    Molecular formula
    C11H22O2

    SMILES
    CC(C)C1C(COC(O1)(C)C)(C)C

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 77.15%
    Green 71.53%
    Woody 67.45%
    Herbal 58.55%
    Mint 49.24%
    Earthy 46.58%
    Camphoreous 46.12%
    Fresh 44.56%
    Spicy 37.08%
    Cooling 31.33%

     

    Flavor
    Green 74.69%
    Earthy 49.09%
    Herbal 38.36%
    Vegetable 30.5%
    Tropical 29.62%
    Camphor 28.33%
    Minty 27.96%
    Woody 27.08%
    Earth 25.85%
    Pepper 24.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.66 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    191°C

    Flash point

    • 57.63 ˚C est.

  • Synonyms

    • 4-Isopropyl-2,2,5,5-tetramethyl-1,3-dioxane
    • 61920-45-4
    • 2,2,5,5-tetramethyl-4-propan-2-yl-1,3-dioxane
    • EINECS 263-322-2
    • 1,3-Dioxane, 2,2,5,5-tetramethyl-4-(1-methylethyl)-
    • DTXSID30866893
    • 2,2,5,5-Tetramethyl-4-isopropyl-1,3-dioxane
    • timber dioxolane
    • SCHEMBL877655
    • DTXCID90815125
    • WVYKHQRCBWWGFK-UHFFFAOYSA-N
    • AKOS006272827
    • DB-367868
    • NS00012772
    • 263-322-2

  • Applications

    1,3-Dioxane, 2,2,5,5-tetramethyl-4-(1-methylethyl)- (CAS 61920-45-4) is primarily used as an intermediate in organic synthesis and as an acetal protecting group for carbonyl compounds; it can also function as a high-boiling specialty solvent or processing medium in coatings, inks, and adhesives, and may serve as a solvent or processing aid in polymer formulations; in some applications it appears in cleaning formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 473.17
    methanol 593.12
    isopropanol 587.26
    water 4.9
    ethyl acetate 984.48
    n-propanol 634.71
    acetone 836.6
    n-butanol 703.15
    acetonitrile 603.23
    DMF 1109.79
    toluene 939.98
    isobutanol 686.14
    1,4-dioxane 1300.12
    methyl acetate 972.43
    THF 1601.6
    2-butanone 1061.91
    n-pentanol 536.06
    sec-butanol 758.2
    n-hexane 566.79
    ethylene glycol 154.44
    NMP 1339.29
    cyclohexane 670.75
    DMSO 634.25
    n-butyl acetate 1090.82
    n-octanol 784.41
    chloroform 3120.01
    n-propyl acetate 726.76
    acetic acid 495.71
    dichloromethane 2075.43
    cyclohexanone 1794.36
    propylene glycol 243.79
    isopropyl acetate 811.41
    DMAc 1324.04
    2-ethoxyethanol 509.51
    isopentanol 756.44
    n-heptane 430.94
    ethyl formate 588.22
    1,2-dichloroethane 1280.65
    n-hexanol 1008.51
    2-methoxyethanol 723.9
    isobutyl acetate 656.74
    tetrachloromethane 921.61
    n-pentyl acetate 814.41
    transcutol 1161.57
    n-heptanol 620.92
    ethylbenzene 694.69
    MIBK 750.97
    2-propoxyethanol 995.34
    tert-butanol 851.23
    MTBE 1335.92
    2-butoxyethanol 669.24
    propionic acid 629.02
    o-xylene 895.47
    formic acid 184.63
    diethyl ether 1012.55
    m-xylene 840.62
    p-xylene 1020.95
    chlorobenzene 1050.67
    dimethyl carbonate 423.43
    n-octane 234.3
    formamide 160.89
    cyclopentanone 1498.35
    2-pentanone 911.38
    anisole 788.23
    cyclopentyl methyl ether 1464.05
    gamma-butyrolactone 1371.81
    1-methoxy-2-propanol 735.33
    pyridine 896.64
    3-pentanone 988.17
    furfural 1178.64
    n-dodecane 175.41
    diethylene glycol 522.23
    diisopropyl ether 631.96
    tert-amyl alcohol 968.28
    acetylacetone 929.42
    n-hexadecane 199.74
    acetophenone 772.6
    methyl propionate 893.77
    isopentyl acetate 1062.37
    trichloroethylene 2288.91
    n-nonanol 649.51
    cyclohexanol 1134.03
    benzyl alcohol 546.97
    2-ethylhexanol 787.62
    isooctanol 539.82
    dipropyl ether 811.64
    1,2-dichlorobenzene 1093.73
    ethyl lactate 437.81
    propylene carbonate 1092.49
    n-methylformamide 463.06
    2-pentanol 677.87
    n-pentane 424.37
    1-propoxy-2-propanol 867.4
    1-methoxy-2-propyl acetate 975.63
    2-(2-methoxypropoxy) propanol 606.12
    mesitylene 683.6
    ε-caprolactone 1597.36
    p-cymene 601.44
    epichlorohydrin 1427.72
    1,1,1-trichloroethane 2000.8
    2-aminoethanol 247.96
    morpholine-4-carbaldehyde 1269.86
    sulfolane 1570.77
    2,2,4-trimethylpentane 320.81
    2-methyltetrahydrofuran 1611.16
    n-hexyl acetate 1290.28
    isooctane 242.12
    2-(2-butoxyethoxy)ethanol 664.88
    sec-butyl acetate 656.79
    tert-butyl acetate 932.01
    decalin 450.19
    glycerin 323.55
    diglyme 1224.62
    acrylic acid 477.78
    isopropyl myristate 526.13
    n-butyric acid 840.34
    acetyl acetate 743.92
    di(2-ethylhexyl) phthalate 410.61
    ethyl propionate 765.4
    nitromethane 801.36
    1,2-diethoxyethane 746.67
    benzonitrile 807.75
    trioctyl phosphate 380.4
    1-bromopropane 1223.08
    gamma-valerolactone 1726.67
    n-decanol 458.65
    triethyl phosphate 459.64
    4-methyl-2-pentanol 523.29
    propionitrile 693.95
    vinylene carbonate 971.11
    1,1,2-trichlorotrifluoroethane 1105.51
    DMS 872.11
    cumene 589.2
    2-octanol 566.2
    2-hexanone 769.97
    octyl acetate 640.3
    limonene 827.8
    1,2-dimethoxyethane 1139.64
    ethyl orthosilicate 453.01
    tributyl phosphate 447.83
    diacetone alcohol 743.15
    N,N-dimethylaniline 646.58
    acrylonitrile 661.36
    aniline 695.74
    1,3-propanediol 404.16
    bromobenzene 1215.86
    dibromomethane 1731.33
    1,1,2,2-tetrachloroethane 2403.54
    2-methyl-cyclohexyl acetate 767.41
    tetrabutyl urea 507.45
    diisobutyl methanol 469.21
    2-phenylethanol 695.51
    styrene 684.63
    dioctyl adipate 587.33
    dimethyl sulfate 652.9
    ethyl butyrate 785.16
    methyl lactate 453.51
    butyl lactate 626.18
    diethyl carbonate 539.14
    propanediol butyl ether 650.89
    triethyl orthoformate 622.56
    p-tert-butyltoluene 609.03
    methyl 4-tert-butylbenzoate 815.33
    morpholine 1241.41
    tert-butylamine 758.59
    n-dodecanol 363.88
    dimethoxymethane 861.21
    ethylene carbonate 910.86
    cyrene 555.62
    2-ethoxyethyl acetate 774.6
    2-ethylhexyl acetate 1025.68
    1,2,4-trichlorobenzene 1238.53
    4-methylpyridine 1286.18
    dibutyl ether 849.11
    2,6-dimethyl-4-heptanol 469.21
    DEF 1062.83
    dimethyl isosorbide 975.3
    tetrachloroethylene 1600.83
    eugenol 587.37
    triacetin 872.65
    span 80 618.36
    1,4-butanediol 229.49
    1,1-dichloroethane 1609.69
    2-methyl-1-pentanol 578.67
    methyl formate 479.29
    2-methyl-1-butanol 794.31
    n-decane 305.29
    butyronitrile 773.45
    3,7-dimethyl-1-octanol 704.77
    1-chlorooctane 751.18
    1-chlorotetradecane 317.06
    n-nonane 335.36
    undecane 218.59
    tert-butylcyclohexane 455.69
    cyclooctane 393.71
    cyclopentanol 914.59
    tetrahydropyran 1533.18
    tert-amyl methyl ether 1179.87
    2,5,8-trioxanonane 779.93
    1-hexene 820.99
    2-isopropoxyethanol 484.98
    2,2,2-trifluoroethanol 285.19
    methyl butyrate 922.83

    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