1,3-Dioxane, 2-butyl-4,4,6-trimethyl-

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  • Identifiers

    CAS number
    54546-26-8

    Molecular formula
    C11H22O2

    SMILES
    CCCCC1OC(CC(O1)(C)C)C

  • Odor profile

    Fragrance
    Green 83.39%
    Herbal 74.85%
    Spicy 51.86%
    Mint 43.75%
    Floral 41.82%
    Fresh 41.18%
    Woody 33.77%
    Vegetable 33.31%
    Earthy 33.15%
    Citrus 32.61%

     

    Flavor
    Green 79.43%
    Earthy 46.17%
    Herbal 40.76%
    Vegetable 39.45%
    Minty 35.36%
    Tropical 31.48%
    Pepper 28.7%
    Raw 27.92%
    Burnt 26.75%
    Sweet 25.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.41 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    212°C

    Flash point

    • 68.36 ˚C est.

  • Synonyms

    • 2-Butyl-4,4,6-trimethyl-1,3-dioxane
    • 54546-26-8
    • 1,3-Dioxane, 2-butyl-4,4,6-trimethyl-
    • EINECS 259-210-8
    • DTXSID0052205
    • SCHEMBL248049
    • DTXCID2030776
    • QUBNQDBPPTZYJL-UHFFFAOYSA-N
    • AKOS006274427
    • DB-217108
    • NS00013326
    • 259-210-8

  • Applications

    1,3-Dioxane, 2-butyl-4,4,6-trimethyl- is used as a specialty solvent and processing medium in industrial manufacturing, and functions as an intermediate in organic synthesis for fragrance, polymer, and coating applications; it can act as a fragrance fixative or component in perfumery, and may be used as a processing solvent in coatings, inks, and adhesives; it is also evaluated for use in cleaning formulations as a solvent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2791.13
    methanol 3020.07
    isopropanol 2619.44
    water 5.72
    ethyl acetate 1929.53
    n-propanol 2634.86
    acetone 1683.5
    n-butanol 2609.5
    acetonitrile 1234.35
    DMF 1274.86
    toluene 1625.49
    isobutanol 2199.78
    1,4-dioxane 3317.13
    methyl acetate 1479.14
    THF 3927.58
    2-butanone 1605.16
    n-pentanol 1786.95
    sec-butanol 2539.36
    n-hexane 1785.9
    ethylene glycol 395.04
    NMP 1664.08
    cyclohexane 2477.64
    DMSO 1065.13
    n-butyl acetate 2213.08
    n-octanol 1561.41
    chloroform 6033.11
    n-propyl acetate 1136.55
    acetic acid 2148.43
    dichloromethane 3677.93
    cyclohexanone 3093.11
    propylene glycol 682.78
    isopropyl acetate 1593.5
    DMAc 1522.42
    2-ethoxyethanol 1169.56
    isopentanol 2431.11
    n-heptane 1063.08
    ethyl formate 1053.01
    1,2-dichloroethane 1996.78
    n-hexanol 3886.43
    2-methoxyethanol 1810.21
    isobutyl acetate 998.84
    tetrachloromethane 1423.79
    n-pentyl acetate 1366.21
    transcutol 2982.21
    n-heptanol 1268.04
    ethylbenzene 760.98
    MIBK 1170.09
    2-propoxyethanol 2464.07
    tert-butanol 3046.49
    MTBE 2953.76
    2-butoxyethanol 1139.8
    propionic acid 1658.48
    o-xylene 927.74
    formic acid 579.89
    diethyl ether 2687.49
    m-xylene 1010.47
    p-xylene 1049.6
    chlorobenzene 1618.49
    dimethyl carbonate 416.96
    n-octane 350.65
    formamide 409.3
    cyclopentanone 2046.49
    2-pentanone 1578.63
    anisole 790.08
    cyclopentyl methyl ether 2718.33
    gamma-butyrolactone 2158.39
    1-methoxy-2-propanol 1526.83
    pyridine 2081.52
    3-pentanone 1343.95
    furfural 1483.96
    n-dodecane 232.43
    diethylene glycol 1160.44
    diisopropyl ether 1228.37
    tert-amyl alcohol 2786.4
    acetylacetone 1219.22
    n-hexadecane 261.67
    acetophenone 731.86
    methyl propionate 1237.33
    isopentyl acetate 1897.63
    trichloroethylene 3316.0
    n-nonanol 1220.72
    cyclohexanol 3247.39
    benzyl alcohol 775.17
    2-ethylhexanol 2093.9
    isooctanol 970.7
    dipropyl ether 1725.86
    1,2-dichlorobenzene 1143.06
    ethyl lactate 419.37
    propylene carbonate 1431.05
    n-methylformamide 796.48
    2-pentanol 2176.0
    n-pentane 1322.84
    1-propoxy-2-propanol 1807.06
    1-methoxy-2-propyl acetate 1359.7
    2-(2-methoxypropoxy) propanol 863.86
    mesitylene 715.24
    ε-caprolactone 2789.39
    p-cymene 612.14
    epichlorohydrin 2130.91
    1,1,1-trichloroethane 2801.35
    2-aminoethanol 896.65
    morpholine-4-carbaldehyde 1725.64
    sulfolane 1685.23
    2,2,4-trimethylpentane 558.69
    2-methyltetrahydrofuran 3805.06
    n-hexyl acetate 2221.64
    isooctane 390.28
    2-(2-butoxyethoxy)ethanol 1235.03
    sec-butyl acetate 1000.03
    tert-butyl acetate 1425.79
    decalin 724.87
    glycerin 699.76
    diglyme 1836.02
    acrylic acid 1037.15
    isopropyl myristate 673.1
    n-butyric acid 2661.73
    acetyl acetate 1203.36
    di(2-ethylhexyl) phthalate 514.7
    ethyl propionate 969.21
    nitromethane 1494.17
    1,2-diethoxyethane 1433.11
    benzonitrile 1062.97
    trioctyl phosphate 426.36
    1-bromopropane 2249.72
    gamma-valerolactone 2403.43
    n-decanol 785.24
    triethyl phosphate 424.74
    4-methyl-2-pentanol 1243.84
    propionitrile 1463.26
    vinylene carbonate 1234.57
    1,1,2-trichlorotrifluoroethane 1628.15
    DMS 880.59
    cumene 561.88
    2-octanol 1064.49
    2-hexanone 1258.55
    octyl acetate 845.86
    limonene 1187.79
    1,2-dimethoxyethane 1999.55
    ethyl orthosilicate 491.0
    tributyl phosphate 528.97
    diacetone alcohol 1090.2
    N,N-dimethylaniline 621.07
    acrylonitrile 1103.62
    aniline 1266.03
    1,3-propanediol 1387.2
    bromobenzene 1753.14
    dibromomethane 3193.39
    1,1,2,2-tetrachloroethane 3184.92
    2-methyl-cyclohexyl acetate 938.53
    tetrabutyl urea 583.81
    diisobutyl methanol 797.91
    2-phenylethanol 1094.16
    styrene 859.16
    dioctyl adipate 726.16
    dimethyl sulfate 501.72
    ethyl butyrate 1102.54
    methyl lactate 499.24
    butyl lactate 759.53
    diethyl carbonate 599.2
    propanediol butyl ether 1002.91
    triethyl orthoformate 826.82
    p-tert-butyltoluene 573.17
    methyl 4-tert-butylbenzoate 737.72
    morpholine 3410.3
    tert-butylamine 2437.36
    n-dodecanol 560.88
    dimethoxymethane 1162.58
    ethylene carbonate 1297.96
    cyrene 577.81
    2-ethoxyethyl acetate 1145.84
    2-ethylhexyl acetate 1662.23
    1,2,4-trichlorobenzene 1294.46
    4-methylpyridine 2184.29
    dibutyl ether 1675.81
    2,6-dimethyl-4-heptanol 797.91
    DEF 1599.46
    dimethyl isosorbide 1131.06
    tetrachloroethylene 2241.15
    eugenol 585.1
    triacetin 1084.16
    span 80 955.39
    1,4-butanediol 592.5
    1,1-dichloroethane 2749.37
    2-methyl-1-pentanol 1611.83
    methyl formate 648.76
    2-methyl-1-butanol 2273.44
    n-decane 465.87
    butyronitrile 1770.22
    3,7-dimethyl-1-octanol 1244.11
    1-chlorooctane 1185.8
    1-chlorotetradecane 404.02
    n-nonane 517.47
    undecane 310.63
    tert-butylcyclohexane 659.93
    cyclooctane 812.18
    cyclopentanol 2491.6
    tetrahydropyran 4686.37
    tert-amyl methyl ether 2189.99
    2,5,8-trioxanonane 1116.91
    1-hexene 2499.72
    2-isopropoxyethanol 972.07
    2,2,2-trifluoroethanol 553.09
    methyl butyrate 1305.82

    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