1,3-Dioxane, 5,5-dimethyl-2,4-bis(1-methylethyl)-

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  • Identifiers

    CAS number
    3494-76-6

    Molecular formula
    C12H24O2

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

  • Odor profile

    Fragrance
    Woody 66.5%
    Fruity 64.56%
    Green 54.22%
    Herbal 51.15%
    Fresh 45.87%
    Camphoreous 42.0%
    Spicy 41.57%
    Mint 40.33%
    Earthy 33.73%
    Ethereal 31.29%

     

    Flavor
    Green 61.89%
    Earthy 37.51%
    Herbal 36.1%
    Tropical 30.52%
    Woody 24.99%
    Camphor 23.36%
    Minty 23.05%
    Musty 22.91%
    Earth 22.84%
    Spicy 22.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.39 (neutral)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    215°C

    Flash point

    • 64.1 ˚C est.

  • Synonyms

    • 2,4-Diisopropyl-5,5-dimethyl-1,3-dioxane
    • 3494-76-6
    • 5,5-dimethyl-2,4-di(propan-2-yl)-1,3-dioxane
    • 1,3-Dioxane, 5,5-dimethyl-2,4-bis(1-methylethyl)-
    • EINECS 222-491-2
    • AI3-28216
    • DTXSID80883979
    • NSC193335
    • SCHEMBL11464468
    • SVYIRYSQKUXBPY-UHFFFAOYSA-N
    • DTXCID701023454
    • NSC-193335
    • 2,4-Diisopropyl-5,5-dimethyl-m-dioxane
    • DB-163531
    • NS00049521
    • 1,3-Dioxane, 2,4-diisopropyl-5,5-dimethyl-

  • Applications

    1,3-Dioxane, 5,5-dimethyl-2,4-bis(1-methylethyl)-, CAS number: 3494-76-6 is a specialized intermediate in organic synthesis, serving as a building block for routes to complex compounds. Owing to its cyclic acetal structure, it can be used as a niche solvent for certain reactions and may act as a carbonyl-protecting group (acetal) in multi-step syntheses. In polymer and plastics formulation, it may function as a stabilizer or processing additive to improve thermal stability and compatibility of the polymer system. Additionally, it can serve as a precursor to other functional materials or additives used in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 705.64
    methanol 753.82
    isopropanol 485.46
    water 2.71
    ethyl acetate 444.73
    n-propanol 570.72
    acetone 421.91
    n-butanol 608.1
    acetonitrile 392.31
    DMF 396.9
    toluene 541.25
    isobutanol 458.04
    1,4-dioxane 776.5
    methyl acetate 374.28
    THF 1262.96
    2-butanone 490.03
    n-pentanol 534.76
    sec-butanol 530.63
    n-hexane 259.35
    ethylene glycol 90.83
    NMP 547.25
    cyclohexane 375.74
    DMSO 328.95
    n-butyl acetate 809.55
    n-octanol 484.5
    chloroform 2206.57
    n-propyl acetate 473.21
    acetic acid 610.62
    dichloromethane 1588.51
    cyclohexanone 834.45
    propylene glycol 149.99
    isopropyl acetate 365.87
    DMAc 417.6
    2-ethoxyethanol 479.27
    isopentanol 560.89
    n-heptane 332.1
    ethyl formate 438.87
    1,2-dichloroethane 675.57
    n-hexanol 767.65
    2-methoxyethanol 569.77
    isobutyl acetate 398.39
    tetrachloromethane 535.79
    n-pentyl acetate 566.09
    transcutol 942.57
    n-heptanol 505.46
    ethylbenzene 414.49
    MIBK 349.01
    2-propoxyethanol 677.63
    tert-butanol 511.04
    MTBE 542.74
    2-butoxyethanol 563.2
    propionic acid 362.08
    o-xylene 369.53
    formic acid 194.43
    diethyl ether 542.84
    m-xylene 407.62
    p-xylene 552.07
    chlorobenzene 599.54
    dimethyl carbonate 136.5
    n-octane 139.01
    formamide 194.8
    cyclopentanone 756.48
    2-pentanone 454.56
    anisole 469.66
    cyclopentyl methyl ether 657.66
    gamma-butyrolactone 740.5
    1-methoxy-2-propanol 423.26
    pyridine 728.63
    3-pentanone 332.14
    furfural 693.43
    n-dodecane 98.39
    diethylene glycol 328.81
    diisopropyl ether 265.38
    tert-amyl alcohol 537.91
    acetylacetone 371.59
    n-hexadecane 107.2
    acetophenone 466.03
    methyl propionate 299.22
    isopentyl acetate 763.12
    trichloroethylene 1359.01
    n-nonanol 416.37
    cyclohexanol 579.28
    benzyl alcohol 424.18
    2-ethylhexanol 623.25
    isooctanol 427.24
    dipropyl ether 601.02
    1,2-dichlorobenzene 554.72
    ethyl lactate 229.2
    propylene carbonate 592.1
    n-methylformamide 273.39
    2-pentanol 441.12
    n-pentane 227.84
    1-propoxy-2-propanol 565.84
    1-methoxy-2-propyl acetate 483.43
    2-(2-methoxypropoxy) propanol 401.14
    mesitylene 293.8
    ε-caprolactone 796.22
    p-cymene 430.42
    epichlorohydrin 889.6
    1,1,1-trichloroethane 860.56
    2-aminoethanol 230.14
    morpholine-4-carbaldehyde 597.66
    sulfolane 669.66
    2,2,4-trimethylpentane 142.58
    2-methyltetrahydrofuran 1022.09
    n-hexyl acetate 706.33
    isooctane 111.03
    2-(2-butoxyethoxy)ethanol 497.84
    sec-butyl acetate 377.48
    tert-butyl acetate 397.08
    decalin 204.8
    glycerin 160.55
    diglyme 828.72
    acrylic acid 291.66
    isopropyl myristate 315.06
    n-butyric acid 607.66
    acetyl acetate 315.64
    di(2-ethylhexyl) phthalate 294.3
    ethyl propionate 371.78
    nitromethane 498.71
    1,2-diethoxyethane 553.87
    benzonitrile 627.37
    trioctyl phosphate 240.04
    1-bromopropane 726.73
    gamma-valerolactone 879.43
    n-decanol 300.24
    triethyl phosphate 275.65
    4-methyl-2-pentanol 313.95
    propionitrile 447.6
    vinylene carbonate 579.55
    1,1,2-trichlorotrifluoroethane 565.1
    DMS 296.51
    cumene 322.57
    2-octanol 397.32
    2-hexanone 525.49
    octyl acetate 397.84
    limonene 532.03
    1,2-dimethoxyethane 777.8
    ethyl orthosilicate 302.4
    tributyl phosphate 270.68
    diacetone alcohol 359.76
    N,N-dimethylaniline 361.08
    acrylonitrile 403.46
    aniline 405.77
    1,3-propanediol 371.96
    bromobenzene 704.74
    dibromomethane 1254.96
    1,1,2,2-tetrachloroethane 1131.43
    2-methyl-cyclohexyl acetate 566.27
    tetrabutyl urea 309.03
    diisobutyl methanol 343.66
    2-phenylethanol 559.51
    styrene 431.59
    dioctyl adipate 420.2
    dimethyl sulfate 159.32
    ethyl butyrate 576.23
    methyl lactate 164.32
    butyl lactate 411.63
    diethyl carbonate 395.15
    propanediol butyl ether 422.19
    triethyl orthoformate 462.02
    p-tert-butyltoluene 402.72
    methyl 4-tert-butylbenzoate 454.74
    morpholine 862.51
    tert-butylamine 436.01
    n-dodecanol 234.91
    dimethoxymethane 367.63
    ethylene carbonate 485.22
    cyrene 379.77
    2-ethoxyethyl acetate 486.29
    2-ethylhexyl acetate 683.72
    1,2,4-trichlorobenzene 611.03
    4-methylpyridine 748.97
    dibutyl ether 531.51
    2,6-dimethyl-4-heptanol 343.66
    DEF 422.66
    dimethyl isosorbide 669.73
    tetrachloroethylene 813.97
    eugenol 402.78
    triacetin 447.11
    span 80 453.16
    1,4-butanediol 195.41
    1,1-dichloroethane 805.3
    2-methyl-1-pentanol 526.41
    methyl formate 245.54
    2-methyl-1-butanol 516.3
    n-decane 161.77
    butyronitrile 646.1
    3,7-dimethyl-1-octanol 437.23
    1-chlorooctane 402.56
    1-chlorotetradecane 176.89
    n-nonane 168.85
    undecane 120.02
    tert-butylcyclohexane 199.11
    cyclooctane 178.5
    cyclopentanol 524.09
    tetrahydropyran 1016.09
    tert-amyl methyl ether 453.21
    2,5,8-trioxanonane 536.4
    1-hexene 485.89
    2-isopropoxyethanol 381.05
    2,2,2-trifluoroethanol 182.68
    methyl butyrate 521.0

    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