1,3-Dioxacyclohexadecan-2-one

  • Identifiers

    Molecular formula
    C14H26O3

    SMILES
    C1CCCCCCOC(=O)OCCCCCC1

  • Odor profile

    Fragrance
    Musk 77.87%
    Sweet 72.89%
    Animal 55.58%
    Fruity 53.59%
    Amber 49.36%
    Waxy 48.34%
    Woody 47.63%
    Powdery 47.22%
    Floral 36.32%
    Dry 34.84%

     

    Flavor
    Fruity 63.86%
    Animal 34.36%
    Natural 28.05%
    Powdery 26.42%
    Fruit 25.23%
    Musk 24.67%
    Cheese 22.16%
    Sweet 21.53%
    Shrimp 21.06%
    Musky 20.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    11.67 (strong base)

    Molecular weight
    242.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    381°C

    Flash point

    • 155.61 ˚C est.

  • Synonyms

    • SCHEMBL11257558
  • Applications

    1,3-Dioxacyclohexadecan-2-one can be used as a monomer for polymer synthesis (polycarbonate or polyester) and as a solvent or processing aid in industrial manufacturing; it serves as a reactive diluent or crosslinking-compatible component in coatings, paints, and adhesives; it is evaluated as a reactive solvent and cleaning solvent in processing and manufacturing; and it may be explored for electronics and energy storage applications, such as an electrolyte solvent or component in electronic systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 465.92
    methanol 391.62
    isopropanol 500.84
    water 0.05
    ethyl acetate 1233.72
    n-propanol 476.07
    acetone 1531.36
    n-butanol 467.32
    acetonitrile 767.83
    DMF 2355.43
    toluene 947.54
    isobutanol 425.71
    1,4-dioxane 1286.55
    methyl acetate 890.59
    THF 2890.75
    2-butanone 1227.4
    n-pentanol 349.65
    sec-butanol 480.93
    n-hexane 229.35
    ethylene glycol 50.2
    NMP 2650.96
    cyclohexane 510.43
    DMSO 2136.83
    n-butyl acetate 1085.05
    n-octanol 266.4
    chloroform 4325.25
    n-propyl acetate 1001.56
    acetic acid 740.92
    dichloromethane 4286.87
    cyclohexanone 2700.44
    propylene glycol 129.03
    isopropyl acetate 951.41
    DMAc 1743.66
    2-ethoxyethanol 498.14
    isopentanol 498.25
    n-heptane 127.81
    ethyl formate 681.14
    1,2-dichloroethane 2922.36
    n-hexanol 348.47
    2-methoxyethanol 762.38
    isobutyl acetate 633.48
    tetrachloromethane 625.88
    n-pentyl acetate 976.83
    transcutol 2103.38
    n-heptanol 232.03
    ethylbenzene 447.33
    MIBK 841.67
    2-propoxyethanol 614.72
    tert-butanol 647.14
    MTBE 852.61
    2-butoxyethanol 523.36
    propionic acid 665.93
    o-xylene 525.64
    formic acid 149.24
    diethyl ether 930.53
    m-xylene 585.9
    p-xylene 616.92
    chlorobenzene 1471.34
    dimethyl carbonate 457.72
    n-octane 59.43
    formamide 393.03
    cyclopentanone 3074.87
    2-pentanone 1289.71
    anisole 751.49
    cyclopentyl methyl ether 1560.78
    gamma-butyrolactone 3121.5
    1-methoxy-2-propanol 731.65
    pyridine 2265.18
    3-pentanone 1029.9
    furfural 2223.95
    n-dodecane 39.88
    diethylene glycol 306.88
    diisopropyl ether 400.58
    tert-amyl alcohol 588.86
    acetylacetone 1528.52
    n-hexadecane 48.44
    acetophenone 823.23
    methyl propionate 964.9
    isopentyl acetate 927.48
    trichloroethylene 4975.72
    n-nonanol 249.27
    cyclohexanol 845.2
    benzyl alcohol 510.46
    2-ethylhexanol 299.62
    isooctanol 226.72
    dipropyl ether 619.65
    1,2-dichlorobenzene 1403.59
    ethyl lactate 347.91
    propylene carbonate 1651.23
    n-methylformamide 909.88
    2-pentanol 448.67
    n-pentane 171.48
    1-propoxy-2-propanol 584.75
    1-methoxy-2-propyl acetate 855.55
    2-(2-methoxypropoxy) propanol 473.42
    mesitylene 395.98
    ε-caprolactone 2024.61
    p-cymene 273.76
    epichlorohydrin 2836.11
    1,1,1-trichloroethane 2554.91
    2-aminoethanol 192.17
    morpholine-4-carbaldehyde 1852.16
    sulfolane 3939.52
    2,2,4-trimethylpentane 87.12
    2-methyltetrahydrofuran 2016.35
    n-hexyl acetate 1031.22
    isooctane 72.73
    2-(2-butoxyethoxy)ethanol 712.84
    sec-butyl acetate 706.29
    tert-butyl acetate 1037.4
    decalin 194.4
    glycerin 190.02
    diglyme 1450.58
    acrylic acid 606.71
    isopropyl myristate 353.37
    n-butyric acid 1149.17
    acetyl acetate 875.58
    di(2-ethylhexyl) phthalate 288.82
    ethyl propionate 848.34
    nitromethane 1645.27
    1,2-diethoxyethane 968.87
    benzonitrile 995.85
    trioctyl phosphate 207.89
    1-bromopropane 1565.48
    gamma-valerolactone 2919.91
    n-decanol 171.21
    triethyl phosphate 357.58
    4-methyl-2-pentanol 290.0
    propionitrile 806.07
    vinylene carbonate 1403.54
    1,1,2-trichlorotrifluoroethane 1660.57
    DMS 778.71
    cumene 282.15
    2-octanol 222.16
    2-hexanone 865.98
    octyl acetate 436.35
    limonene 426.21
    1,2-dimethoxyethane 1218.46
    ethyl orthosilicate 322.95
    tributyl phosphate 299.52
    diacetone alcohol 814.77
    N,N-dimethylaniline 506.5
    acrylonitrile 1099.87
    aniline 848.99
    1,3-propanediol 330.76
    bromobenzene 1860.51
    dibromomethane 2866.91
    1,1,2,2-tetrachloroethane 4282.53
    2-methyl-cyclohexyl acetate 597.14
    tetrabutyl urea 399.68
    diisobutyl methanol 235.44
    2-phenylethanol 425.02
    styrene 633.54
    dioctyl adipate 537.19
    dimethyl sulfate 872.32
    ethyl butyrate 793.34
    methyl lactate 419.85
    butyl lactate 563.59
    diethyl carbonate 509.61
    propanediol butyl ether 467.68
    triethyl orthoformate 525.68
    p-tert-butyltoluene 265.26
    methyl 4-tert-butylbenzoate 688.38
    morpholine 1686.81
    tert-butylamine 480.91
    n-dodecanol 130.04
    dimethoxymethane 1048.62
    ethylene carbonate 1173.55
    cyrene 492.97
    2-ethoxyethyl acetate 1036.99
    2-ethylhexyl acetate 781.46
    1,2,4-trichlorobenzene 1556.3
    4-methylpyridine 2023.4
    dibutyl ether 626.19
    2,6-dimethyl-4-heptanol 235.44
    DEF 1578.11
    dimethyl isosorbide 981.19
    tetrachloroethylene 2561.68
    eugenol 519.85
    triacetin 889.96
    span 80 533.66
    1,4-butanediol 136.89
    1,1-dichloroethane 2642.16
    2-methyl-1-pentanol 352.85
    methyl formate 591.77
    2-methyl-1-butanol 436.3
    n-decane 73.79
    butyronitrile 908.28
    3,7-dimethyl-1-octanol 288.51
    1-chlorooctane 346.65
    1-chlorotetradecane 125.14
    n-nonane 75.69
    undecane 51.11
    tert-butylcyclohexane 141.81
    cyclooctane 162.21
    cyclopentanol 977.09
    tetrahydropyran 1889.6
    tert-amyl methyl ether 693.69
    2,5,8-trioxanonane 860.82
    1-hexene 572.21
    2-isopropoxyethanol 421.31
    2,2,2-trifluoroethanol 297.7
    methyl butyrate 1172.61

    Scent© AI

1 of 4
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