1,4-Dioxacyclopentadecane-2,3-dione

  • Identifiers

    Molecular formula
    C13H22O4

    SMILES
    C1CCCCCOC(=O)C(=O)OCCCCC1

  • Odor profile

    Fragrance
    Sweet 78.86%
    Musk 64.6%
    Fruity 49.26%
    Animal 45.49%
    Powdery 45.01%
    Coumarinic 44.2%
    Floral 43.58%
    Woody 40.9%
    Tobacco 39.24%
    Waxy 38.87%

     

    Flavor
    Fruity 47.26%
    Coconut 33.03%
    Sweet 33.02%
    Caramel 31.07%
    Buttery 29.44%
    Fatty 28.64%
    Creamy 28.11%
    Tonka 27.36%
    Coumarin 27.09%
    Minty 25.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    10.39 (weak base)

    Molecular weight
    242.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    424°C

    Flash point

    • 147.31 ˚C est.

  • Applications

    1,4-Dioxacyclopentadecane-2,3-dione is a cyclic dioxacyclic compound with two carbonyl groups commonly used as an intermediate in organic synthesis and as a building block for specialty polymers and high-temperature materials, including polyimide-like structures. It can function as a crosslinking agent or co-monomer in coatings, adhesives, and resin formulations, broadening the performance options of industrial formulations. With its carbonyl and ether functionalities, it may also act as a chelating agent or ligand in certain catalytic or synthetic environments.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 141.91
    methanol 160.17
    isopropanol 122.8
    water 0.1
    ethyl acetate 564.31
    n-propanol 136.21
    acetone 646.98
    n-butanol 138.28
    acetonitrile 374.89
    DMF 1171.21
    toluene 381.76
    isobutanol 120.27
    1,4-dioxane 485.37
    methyl acetate 450.79
    THF 1107.24
    2-butanone 509.63
    n-pentanol 107.25
    sec-butanol 136.55
    n-hexane 37.27
    ethylene glycol 43.66
    NMP 1798.54
    cyclohexane 127.5
    DMSO 1190.19
    n-butyl acetate 391.45
    n-octanol 81.26
    chloroform 1756.65
    n-propyl acetate 327.6
    acetic acid 427.18
    dichloromethane 2028.27
    cyclohexanone 1201.78
    propylene glycol 59.83
    isopropyl acetate 398.61
    DMAc 943.11
    2-ethoxyethanol 247.22
    isopentanol 160.35
    n-heptane 26.91
    ethyl formate 332.87
    1,2-dichloroethane 1719.46
    n-hexanol 117.1
    2-methoxyethanol 414.53
    isobutyl acetate 179.35
    tetrachloromethane 262.81
    n-pentyl acetate 322.94
    transcutol 1035.73
    n-heptanol 79.19
    ethylbenzene 162.47
    MIBK 319.31
    2-propoxyethanol 271.18
    tert-butanol 189.77
    MTBE 233.84
    2-butoxyethanol 208.73
    propionic acid 327.78
    o-xylene 264.01
    formic acid 148.69
    diethyl ether 269.87
    m-xylene 251.89
    p-xylene 210.48
    chlorobenzene 761.61
    dimethyl carbonate 278.77
    n-octane 14.45
    formamide 419.25
    cyclopentanone 1522.61
    2-pentanone 509.0
    anisole 290.67
    cyclopentyl methyl ether 598.0
    gamma-butyrolactone 1803.09
    1-methoxy-2-propanol 337.17
    pyridine 1036.98
    3-pentanone 457.94
    furfural 1442.89
    n-dodecane 10.04
    diethylene glycol 214.54
    diisopropyl ether 115.3
    tert-amyl alcohol 188.9
    acetylacetone 806.11
    n-hexadecane 12.46
    acetophenone 418.32
    methyl propionate 522.44
    isopentyl acetate 352.92
    trichloroethylene 3116.76
    n-nonanol 77.67
    cyclohexanol 320.53
    benzyl alcohol 248.35
    2-ethylhexanol 102.28
    isooctanol 73.9
    dipropyl ether 158.88
    1,2-dichlorobenzene 836.58
    ethyl lactate 170.18
    propylene carbonate 909.34
    n-methylformamide 527.57
    2-pentanol 134.45
    n-pentane 36.77
    1-propoxy-2-propanol 229.11
    1-methoxy-2-propyl acetate 407.78
    2-(2-methoxypropoxy) propanol 226.94
    mesitylene 169.63
    ε-caprolactone 1001.12
    p-cymene 112.02
    epichlorohydrin 1693.67
    1,1,1-trichloroethane 1156.0
    2-aminoethanol 90.95
    morpholine-4-carbaldehyde 1052.27
    sulfolane 2471.52
    2,2,4-trimethylpentane 26.31
    2-methyltetrahydrofuran 748.09
    n-hexyl acetate 353.84
    isooctane 19.3
    2-(2-butoxyethoxy)ethanol 311.49
    sec-butyl acetate 237.75
    tert-butyl acetate 416.87
    decalin 56.85
    glycerin 128.21
    diglyme 673.08
    acrylic acid 363.89
    isopropyl myristate 117.11
    n-butyric acid 489.41
    acetyl acetate 502.76
    di(2-ethylhexyl) phthalate 120.41
    ethyl propionate 324.71
    nitromethane 1082.75
    1,2-diethoxyethane 354.37
    benzonitrile 463.84
    trioctyl phosphate 81.41
    1-bromopropane 617.18
    gamma-valerolactone 1494.97
    n-decanol 54.87
    triethyl phosphate 155.41
    4-methyl-2-pentanol 94.58
    propionitrile 301.61
    vinylene carbonate 782.63
    1,1,2-trichlorotrifluoroethane 1063.98
    DMS 447.13
    cumene 104.28
    2-octanol 66.31
    2-hexanone 274.79
    octyl acetate 149.1
    limonene 180.5
    1,2-dimethoxyethane 471.25
    ethyl orthosilicate 138.94
    tributyl phosphate 118.01
    diacetone alcohol 422.74
    N,N-dimethylaniline 200.14
    acrylonitrile 530.45
    aniline 405.59
    1,3-propanediol 157.2
    bromobenzene 897.68
    dibromomethane 1308.47
    1,1,2,2-tetrachloroethane 2445.42
    2-methyl-cyclohexyl acetate 233.89
    tetrabutyl urea 167.34
    diisobutyl methanol 86.48
    2-phenylethanol 218.85
    styrene 229.94
    dioctyl adipate 194.14
    dimethyl sulfate 624.35
    ethyl butyrate 284.06
    methyl lactate 277.24
    butyl lactate 239.1
    diethyl carbonate 198.68
    propanediol butyl ether 195.08
    triethyl orthoformate 198.2
    p-tert-butyltoluene 109.35
    methyl 4-tert-butylbenzoate 322.17
    morpholine 647.34
    tert-butylamine 135.03
    n-dodecanol 41.84
    dimethoxymethane 501.91
    ethylene carbonate 599.78
    cyrene 291.08
    2-ethoxyethyl acetate 442.74
    2-ethylhexyl acetate 287.66
    1,2,4-trichlorobenzene 941.35
    4-methylpyridine 895.19
    dibutyl ether 158.59
    2,6-dimethyl-4-heptanol 86.48
    DEF 756.28
    dimethyl isosorbide 540.74
    tetrachloroethylene 1580.5
    eugenol 252.23
    triacetin 396.1
    span 80 217.58
    1,4-butanediol 66.01
    1,1-dichloroethane 1093.23
    2-methyl-1-pentanol 119.82
    methyl formate 395.56
    2-methyl-1-butanol 146.34
    n-decane 17.48
    butyronitrile 281.74
    3,7-dimethyl-1-octanol 101.42
    1-chlorooctane 102.51
    1-chlorotetradecane 38.68
    n-nonane 16.87
    undecane 12.93
    tert-butylcyclohexane 34.87
    cyclooctane 45.16
    cyclopentanol 344.7
    tetrahydropyran 535.99
    tert-amyl methyl ether 229.38
    2,5,8-trioxanonane 407.99
    1-hexene 109.9
    2-isopropoxyethanol 180.86
    2,2,2-trifluoroethanol 230.52
    methyl butyrate 437.76

    Scent© AI

1 of 3
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