1,4-Dioxacyclopentadecane-5,15-dione

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  • Identifiers

    CAS number
    68672-00-4

    Molecular formula
    C13H22O4

    SMILES
    C1CCCCC(=O)OCCOC(=O)CCCC1

  • Odor profile

    Fragrance
    Sweet 73.88%
    Musk 67.7%
    Fatty 61.26%
    Waxy 54.05%
    Oily 53.41%
    Coconut 52.3%
    Creamy 50.62%
    Coumarinic 50.19%
    Animal 49.31%
    Woody 44.74%

     

    Flavor
    Sweet 64.11%
    Coconut 53.43%
    Creamy 48.05%
    Fatty 47.31%
    Fruity 42.71%
    Tonka 41.01%
    Oily 40.54%
    Buttery 38.94%
    Coumarin 37.99%
    Caramel 37.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    11.37 (strong base)

    Molecular weight
    242.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Flash point

    • 166.32 ˚C est.

  • Synonyms

    • 1,4-Dioxacyclopentadecane-5,15-dione
    • 68672-00-4
    • SCHEMBL7538072
    • DTXSID10628057

  • Applications

    1,4-Dioxacyclopentadecane-5,15-dione, CAS 68672-00-4, is a macrocyclic diester that serves primarily as an intermediate in polymer and resin synthesis; it is often evaluated as a crosslinking agent for coatings, adhesives, and inks; it can function as a solvent or processing aid in industrial manufacturing; it provides a building block for specialty polyesters and related resins; and it may be used as a precursor in electronics-compatible dielectrics or high-temperature resin formulations, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 78.6
    methanol 108.01
    isopropanol 60.03
    water 0.12
    ethyl acetate 208.69
    n-propanol 58.46
    acetone 302.38
    n-butanol 53.53
    acetonitrile 229.66
    DMF 653.19
    toluene 133.75
    isobutanol 48.73
    1,4-dioxane 252.69
    methyl acetate 202.7
    THF 487.27
    2-butanone 205.84
    n-pentanol 49.57
    sec-butanol 55.02
    n-hexane 11.08
    ethylene glycol 19.77
    NMP 734.32
    cyclohexane 19.74
    DMSO 944.11
    n-butyl acetate 171.33
    n-octanol 27.23
    chloroform 950.19
    n-propyl acetate 155.09
    acetic acid 320.49
    dichloromethane 967.0
    cyclohexanone 402.55
    propylene glycol 28.42
    isopropyl acetate 149.6
    DMAc 680.16
    2-ethoxyethanol 137.54
    isopentanol 67.56
    n-heptane 5.85
    ethyl formate 140.65
    1,2-dichloroethane 592.67
    n-hexanol 45.21
    2-methoxyethanol 212.53
    isobutyl acetate 93.8
    tetrachloromethane 89.7
    n-pentyl acetate 112.02
    transcutol 684.28
    n-heptanol 24.25
    ethylbenzene 72.32
    MIBK 127.44
    2-propoxyethanol 133.8
    tert-butanol 107.27
    MTBE 116.11
    2-butoxyethanol 86.78
    propionic acid 157.86
    o-xylene 98.01
    formic acid 109.6
    diethyl ether 107.87
    m-xylene 86.45
    p-xylene 95.38
    chlorobenzene 270.08
    dimethyl carbonate 112.95
    n-octane 2.76
    formamide 226.73
    cyclopentanone 575.84
    2-pentanone 173.61
    anisole 151.64
    cyclopentyl methyl ether 202.33
    gamma-butyrolactone 772.81
    1-methoxy-2-propanol 165.63
    pyridine 415.6
    3-pentanone 154.35
    furfural 667.16
    n-dodecane 2.77
    diethylene glycol 110.3
    diisopropyl ether 40.13
    tert-amyl alcohol 91.8
    acetylacetone 347.43
    n-hexadecane 3.33
    acetophenone 195.2
    methyl propionate 176.07
    isopentyl acetate 151.14
    trichloroethylene 1134.48
    n-nonanol 28.08
    cyclohexanol 91.21
    benzyl alcohol 123.85
    2-ethylhexanol 40.72
    isooctanol 24.9
    dipropyl ether 67.08
    1,2-dichlorobenzene 291.13
    ethyl lactate 80.21
    propylene carbonate 384.06
    n-methylformamide 245.51
    2-pentanol 44.58
    n-pentane 7.47
    1-propoxy-2-propanol 107.06
    1-methoxy-2-propyl acetate 185.75
    2-(2-methoxypropoxy) propanol 141.95
    mesitylene 54.86
    ε-caprolactone 368.27
    p-cymene 45.23
    epichlorohydrin 652.63
    1,1,1-trichloroethane 413.37
    2-aminoethanol 46.8
    morpholine-4-carbaldehyde 515.49
    sulfolane 1002.97
    2,2,4-trimethylpentane 7.88
    2-methyltetrahydrofuran 296.65
    n-hexyl acetate 132.41
    isooctane 5.34
    2-(2-butoxyethoxy)ethanol 171.23
    sec-butyl acetate 105.65
    tert-butyl acetate 170.52
    decalin 17.0
    glycerin 72.44
    diglyme 370.28
    acrylic acid 192.13
    isopropyl myristate 51.33
    n-butyric acid 211.4
    acetyl acetate 238.71
    di(2-ethylhexyl) phthalate 67.35
    ethyl propionate 141.84
    nitromethane 651.61
    1,2-diethoxyethane 171.83
    benzonitrile 216.22
    trioctyl phosphate 37.79
    1-bromopropane 210.93
    gamma-valerolactone 670.47
    n-decanol 20.26
    triethyl phosphate 89.52
    4-methyl-2-pentanol 37.52
    propionitrile 140.03
    vinylene carbonate 363.64
    1,1,2-trichlorotrifluoroethane 502.33
    DMS 184.84
    cumene 47.32
    2-octanol 18.94
    2-hexanone 126.59
    octyl acetate 63.93
    limonene 62.57
    1,2-dimethoxyethane 291.23
    ethyl orthosilicate 77.4
    tributyl phosphate 64.26
    diacetone alcohol 172.67
    N,N-dimethylaniline 108.46
    acrylonitrile 248.12
    aniline 159.23
    1,3-propanediol 75.65
    bromobenzene 311.73
    dibromomethane 575.73
    1,1,2,2-tetrachloroethane 883.56
    2-methyl-cyclohexyl acetate 114.52
    tetrabutyl urea 84.82
    diisobutyl methanol 33.63
    2-phenylethanol 96.44
    styrene 106.82
    dioctyl adipate 99.89
    dimethyl sulfate 290.25
    ethyl butyrate 134.73
    methyl lactate 113.2
    butyl lactate 99.23
    diethyl carbonate 113.08
    propanediol butyl ether 91.88
    triethyl orthoformate 100.72
    p-tert-butyltoluene 42.52
    methyl 4-tert-butylbenzoate 149.49
    morpholine 297.72
    tert-butylamine 64.78
    n-dodecanol 15.61
    dimethoxymethane 223.45
    ethylene carbonate 275.63
    cyrene 156.9
    2-ethoxyethyl acetate 191.6
    2-ethylhexyl acetate 122.42
    1,2,4-trichlorobenzene 344.62
    4-methylpyridine 395.72
    dibutyl ether 61.5
    2,6-dimethyl-4-heptanol 33.63
    DEF 272.33
    dimethyl isosorbide 281.49
    tetrachloroethylene 529.22
    eugenol 130.14
    triacetin 202.05
    span 80 114.4
    1,4-butanediol 32.98
    1,1-dichloroethane 434.86
    2-methyl-1-pentanol 59.0
    methyl formate 181.43
    2-methyl-1-butanol 57.27
    n-decane 4.59
    butyronitrile 123.26
    3,7-dimethyl-1-octanol 40.26
    1-chlorooctane 29.01
    1-chlorotetradecane 12.44
    n-nonane 3.88
    undecane 3.42
    tert-butylcyclohexane 12.44
    cyclooctane 6.59
    cyclopentanol 115.51
    tetrahydropyran 210.49
    tert-amyl methyl ether 99.94
    2,5,8-trioxanonane 257.86
    1-hexene 45.17
    2-isopropoxyethanol 99.29
    2,2,2-trifluoroethanol 153.55
    methyl butyrate 190.69

    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