4-Isopropyl-5,5-dimethyl-1,3-dioxane

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  • Identifiers

    CAS number
    3583-00-4

    Molecular formula
    C9H18O2

    SMILES
    CC(C)C1C(COCO1)(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Woody 74.66%
    Herbal 67.29%
    Green 63.78%
    Fresh 56.56%
    Camphoreous 52.96%
    Spicy 48.84%
    Mint 47.27%
    Earthy 41.46%
    Fruity 36.43%
    Pine 35.85%

     

    Flavor
    Green 60.94%
    Earthy 41.51%
    Herbal 40.81%
    Woody 33.69%
    Camphor 29.8%
    Spicy 28.82%
    Earth 27.75%
    Musty 26.38%
    Spice 25.84%
    Tropical 25.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.59 (neutral)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point

    • 51.56 ˚C est.

  • Synonyms

    • 4-Isopropyl-5,5-dimethyl-1,3-dioxane
    • 3583-00-4
    • 1,3-Dioxane, 5,5-dimethyl-4-(1-methylethyl)-
    • TI8LRS7LDS
    • 5,5-dimethyl-4-propan-2-yl-1,3-dioxane
    • m-Dioxane, 4-isopropyl-5,5-dimethyl-
    • UNII-TI8LRS7LDS
    • EINECS 222-709-6
    • NSC 48577
    • NSC-48577
    • AI3-32376
    • DTXSID6052035
    • 5,5-DIMETHYL-4-(1-METHYLETHYL)-1,3-DIOXANE
    • herbal dioxane
    • NSC48577
    • 4-Isopropyl-5,3-dioxane
    • SCHEMBL878182
    • 1,3-DIOXANE,5,5-DIMETHYL-4-(1-METHYLETHYL)-
    • DTXCID1030602
    • KBYHWUXTLMRZHL-UHFFFAOYSA-N
    • AKOS006272828
    • 1, 5,5-dimethyl-4-(1-methylethyl)-
    • DB-322635
    • NS00012733
    • A823493
    • 222-709-6

  • Applications

    4-Isopropyl-5,5-dimethyl-1,3-dioxane (CAS 3583-00-4) is primarily employed as an aroma compound in perfumery and fragrance formulations, where it can function as an odorant and a potential fixative in formulations. It may also be used in cosmetics and personal care as a fragrance ingredient or solvent in formulation processes. In household products such as cleaners and air fresheners, it can serve as a fragrance additive. In industrial manufacturing, the compound can be considered an intermediate or solvent for organic synthesis and as a building block for specialty chemicals. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1529.13
    methanol 1884.84
    isopropanol 951.11
    water 7.97
    ethyl acetate 1144.48
    n-propanol 1100.45
    acetone 875.76
    n-butanol 1137.29
    acetonitrile 988.35
    DMF 685.83
    toluene 585.92
    isobutanol 826.25
    1,4-dioxane 1403.04
    methyl acetate 852.89
    THF 1738.73
    2-butanone 791.43
    n-pentanol 644.29
    sec-butanol 807.57
    n-hexane 262.99
    ethylene glycol 287.87
    NMP 678.75
    cyclohexane 438.06
    DMSO 531.38
    n-butyl acetate 1298.86
    n-octanol 496.97
    chloroform 3127.69
    n-propyl acetate 682.55
    acetic acid 1800.89
    dichloromethane 2263.15
    cyclohexanone 1190.18
    propylene glycol 305.15
    isopropyl acetate 794.46
    DMAc 549.45
    2-ethoxyethanol 787.41
    isopentanol 904.35
    n-heptane 299.78
    ethyl formate 859.67
    1,2-dichloroethane 1202.15
    n-hexanol 1170.04
    2-methoxyethanol 1225.32
    isobutyl acetate 501.2
    tetrachloromethane 894.64
    n-pentyl acetate 668.24
    transcutol 1887.86
    n-heptanol 551.94
    ethylbenzene 292.89
    MIBK 613.1
    2-propoxyethanol 1310.77
    tert-butanol 993.71
    MTBE 1000.63
    2-butoxyethanol 724.26
    propionic acid 860.49
    o-xylene 392.98
    formic acid 686.1
    diethyl ether 1202.73
    m-xylene 453.61
    p-xylene 408.95
    chlorobenzene 776.56
    dimethyl carbonate 296.99
    n-octane 96.76
    formamide 520.51
    cyclopentanone 1023.3
    2-pentanone 844.84
    anisole 470.89
    cyclopentyl methyl ether 1078.88
    gamma-butyrolactone 1263.39
    1-methoxy-2-propanol 809.03
    pyridine 947.73
    3-pentanone 585.68
    furfural 1099.53
    n-dodecane 65.25
    diethylene glycol 807.52
    diisopropyl ether 491.57
    tert-amyl alcohol 863.5
    acetylacetone 723.04
    n-hexadecane 72.88
    acetophenone 414.01
    methyl propionate 635.4
    isopentyl acetate 1122.41
    trichloroethylene 2253.37
    n-nonanol 396.39
    cyclohexanol 986.22
    benzyl alcohol 416.58
    2-ethylhexanol 737.08
    isooctanol 414.68
    dipropyl ether 844.53
    1,2-dichlorobenzene 728.27
    ethyl lactate 282.0
    propylene carbonate 924.96
    n-methylformamide 605.43
    2-pentanol 771.62
    n-pentane 318.13
    1-propoxy-2-propanol 989.91
    1-methoxy-2-propyl acetate 856.64
    2-(2-methoxypropoxy) propanol 464.19
    mesitylene 328.09
    ε-caprolactone 1175.41
    p-cymene 371.33
    epichlorohydrin 1466.16
    1,1,1-trichloroethane 1607.29
    2-aminoethanol 522.44
    morpholine-4-carbaldehyde 915.29
    sulfolane 949.21
    2,2,4-trimethylpentane 162.61
    2-methyltetrahydrofuran 1377.23
    n-hexyl acetate 861.02
    isooctane 148.75
    2-(2-butoxyethoxy)ethanol 666.68
    sec-butyl acetate 503.47
    tert-butyl acetate 816.33
    decalin 173.84
    glycerin 396.29
    diglyme 1201.47
    acrylic acid 680.41
    isopropyl myristate 297.58
    n-butyric acid 1422.24
    acetyl acetate 762.12
    di(2-ethylhexyl) phthalate 254.15
    ethyl propionate 516.98
    nitromethane 1399.55
    1,2-diethoxyethane 902.97
    benzonitrile 661.68
    trioctyl phosphate 219.83
    1-bromopropane 991.14
    gamma-valerolactone 1330.46
    n-decanol 271.19
    triethyl phosphate 298.68
    4-methyl-2-pentanol 470.22
    propionitrile 811.5
    vinylene carbonate 865.91
    1,1,2-trichlorotrifluoroethane 1099.11
    DMS 479.17
    cumene 244.39
    2-octanol 363.44
    2-hexanone 571.25
    octyl acetate 374.28
    limonene 561.15
    1,2-dimethoxyethane 1075.24
    ethyl orthosilicate 331.88
    tributyl phosphate 287.85
    diacetone alcohol 657.29
    N,N-dimethylaniline 310.75
    acrylonitrile 753.77
    aniline 560.14
    1,3-propanediol 840.22
    bromobenzene 859.24
    dibromomethane 1702.75
    1,1,2,2-tetrachloroethane 1747.42
    2-methyl-cyclohexyl acetate 548.77
    tetrabutyl urea 275.03
    diisobutyl methanol 427.46
    2-phenylethanol 608.73
    styrene 340.31
    dioctyl adipate 347.26
    dimethyl sulfate 330.6
    ethyl butyrate 748.63
    methyl lactate 304.35
    butyl lactate 437.19
    diethyl carbonate 490.44
    propanediol butyl ether 517.82
    triethyl orthoformate 549.37
    p-tert-butyltoluene 371.96
    methyl 4-tert-butylbenzoate 436.14
    morpholine 1386.08
    tert-butylamine 783.62
    n-dodecanol 202.36
    dimethoxymethane 729.43
    ethylene carbonate 798.08
    cyrene 358.13
    2-ethoxyethyl acetate 706.66
    2-ethylhexyl acetate 884.59
    1,2,4-trichlorobenzene 794.73
    4-methylpyridine 910.0
    dibutyl ether 585.47
    2,6-dimethyl-4-heptanol 427.46
    DEF 714.22
    dimethyl isosorbide 732.95
    tetrachloroethylene 1436.07
    eugenol 384.45
    triacetin 511.3
    span 80 430.02
    1,4-butanediol 323.33
    1,1-dichloroethane 1427.06
    2-methyl-1-pentanol 565.6
    methyl formate 587.74
    2-methyl-1-butanol 843.0
    n-decane 119.42
    butyronitrile 1050.68
    3,7-dimethyl-1-octanol 473.28
    1-chlorooctane 381.29
    1-chlorotetradecane 144.09
    n-nonane 127.56
    undecane 82.55
    tert-butylcyclohexane 177.61
    cyclooctane 190.5
    cyclopentanol 801.09
    tetrahydropyran 1497.56
    tert-amyl methyl ether 769.16
    2,5,8-trioxanonane 660.53
    1-hexene 504.17
    2-isopropoxyethanol 576.72
    2,2,2-trifluoroethanol 597.77
    methyl butyrate 690.88

    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