1,3-Dioxacyclopentadecan-2-one

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  • Identifiers

    CAS number
    83742-07-8

    Molecular formula
    C13H24O3

    SMILES
    C1CCCCCCOC(=O)OCCCCC1

  • Odor profile

    Fragrance
    Musk 74.66%
    Sweet 73.14%
    Fruity 55.32%
    Animal 54.16%
    Woody 47.64%
    Waxy 47.26%
    Amber 47.08%
    Powdery 45.59%
    Floral 38.48%
    Oily 36.02%

     

    Flavor
    Fruity 64.03%
    Animal 33.6%
    Natural 27.8%
    Fruit 26.32%
    Powdery 26.26%
    Musk 24.5%
    Sweet 23.7%
    Cheese 22.73%
    Coconut 21.83%
    Creamy 21.64%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    11.79 (strong base)

    Molecular weight
    228.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    379°C

    Flash point

    • 149.07 ˚C est.

  • Synonyms

    • 1,3-Dioxacyclopentadecan-2-one
    • 83742-07-8
    • EINECS 280-680-5
    • DTXSID701003783
    • dodeca-methylene carbonate
    • SCHEMBL7622081
    • WTRBJJXKZUJRBA-UHFFFAOYSA-N
    • DTXCID901430689
    • NS00058680
    • 280-680-5

  • Applications

    1,3-Dioxacyclopentadecan-2-one (CAS 83742-07-8) is viewed as a key intermediate in polymer and materials science, commonly used as a cyclic carbonate monomer for ring-opening polymerization to synthesize polycarbonates or polyesters; it can also function as a solvent or polar co-solvent for industrial formulations; in coatings and paints it is considered as a plasticizer or adhesion-related additive; it is also evaluated as a component in adhesives and surface-treatment formulations; and it is studied as a solvent or additive in cleaning formulations and electronic processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 504.91
    methanol 425.28
    isopropanol 505.15
    water 0.05
    ethyl acetate 1103.0
    n-propanol 486.07
    acetone 1453.03
    n-butanol 480.28
    acetonitrile 718.35
    DMF 2372.83
    toluene 880.63
    isobutanol 434.5
    1,4-dioxane 1252.31
    methyl acetate 814.81
    THF 2660.73
    2-butanone 1133.67
    n-pentanol 356.77
    sec-butanol 490.11
    n-hexane 224.95
    ethylene glycol 59.92
    NMP 2577.94
    cyclohexane 451.28
    DMSO 2076.48
    n-butyl acetate 1016.92
    n-octanol 250.66
    chloroform 3932.89
    n-propyl acetate 880.62
    acetic acid 748.22
    dichloromethane 3788.1
    cyclohexanone 2407.34
    propylene glycol 142.99
    isopropyl acetate 867.12
    DMAc 1711.99
    2-ethoxyethanol 504.03
    isopentanol 508.73
    n-heptane 114.4
    ethyl formate 617.91
    1,2-dichloroethane 2688.92
    n-hexanol 359.31
    2-methoxyethanol 787.02
    isobutyl acetate 567.84
    tetrachloromethane 550.65
    n-pentyl acetate 853.54
    transcutol 2115.61
    n-heptanol 219.55
    ethylbenzene 413.95
    MIBK 777.93
    2-propoxyethanol 630.63
    tert-butanol 658.6
    MTBE 835.13
    2-butoxyethanol 497.3
    propionic acid 652.72
    o-xylene 499.52
    formic acid 164.34
    diethyl ether 911.7
    m-xylene 547.31
    p-xylene 564.99
    chlorobenzene 1337.67
    dimethyl carbonate 432.48
    n-octane 51.75
    formamide 412.0
    cyclopentanone 2788.14
    2-pentanone 1204.63
    anisole 698.27
    cyclopentyl methyl ether 1496.66
    gamma-butyrolactone 2816.87
    1-methoxy-2-propanol 738.84
    pyridine 2058.58
    3-pentanone 958.55
    furfural 2051.53
    n-dodecane 35.7
    diethylene glycol 335.79
    diisopropyl ether 385.57
    tert-amyl alcohol 600.74
    acetylacetone 1364.18
    n-hexadecane 43.09
    acetophenone 749.54
    methyl propionate 898.19
    isopentyl acetate 868.29
    trichloroethylene 4549.91
    n-nonanol 234.52
    cyclohexanol 812.55
    benzyl alcohol 488.45
    2-ethylhexanol 294.52
    isooctanol 214.74
    dipropyl ether 567.9
    1,2-dichlorobenzene 1287.64
    ethyl lactate 322.63
    propylene carbonate 1505.68
    n-methylformamide 902.74
    2-pentanol 456.34
    n-pentane 168.34
    1-propoxy-2-propanol 577.71
    1-methoxy-2-propyl acetate 815.01
    2-(2-methoxypropoxy) propanol 475.26
    mesitylene 369.77
    ε-caprolactone 1822.34
    p-cymene 256.47
    epichlorohydrin 2625.93
    1,1,1-trichloroethane 2251.27
    2-aminoethanol 213.41
    morpholine-4-carbaldehyde 1819.81
    sulfolane 3619.34
    2,2,4-trimethylpentane 85.96
    2-methyltetrahydrofuran 1900.44
    n-hexyl acetate 935.55
    isooctane 72.11
    2-(2-butoxyethoxy)ethanol 707.85
    sec-butyl acetate 639.26
    tert-butyl acetate 961.9
    decalin 183.7
    glycerin 212.08
    diglyme 1392.97
    acrylic acid 597.41
    isopropyl myristate 323.7
    n-butyric acid 1083.18
    acetyl acetate 794.03
    di(2-ethylhexyl) phthalate 274.21
    ethyl propionate 765.46
    nitromethane 1557.23
    1,2-diethoxyethane 897.03
    benzonitrile 919.43
    trioctyl phosphate 192.42
    1-bromopropane 1448.7
    gamma-valerolactone 2676.76
    n-decanol 161.59
    triethyl phosphate 328.78
    4-methyl-2-pentanol 293.25
    propionitrile 748.57
    vinylene carbonate 1284.21
    1,1,2-trichlorotrifluoroethane 1587.15
    DMS 728.44
    cumene 263.23
    2-octanol 205.14
    2-hexanone 794.94
    octyl acetate 399.1
    limonene 397.31
    1,2-dimethoxyethane 1170.27
    ethyl orthosilicate 302.14
    tributyl phosphate 279.56
    diacetone alcohol 791.51
    N,N-dimethylaniline 478.44
    acrylonitrile 1030.01
    aniline 829.28
    1,3-propanediol 362.48
    bromobenzene 1673.16
    dibromomethane 2568.73
    1,1,2,2-tetrachloroethane 3939.03
    2-methyl-cyclohexyl acetate 547.41
    tetrabutyl urea 373.7
    diisobutyl methanol 229.07
    2-phenylethanol 422.21
    styrene 582.4
    dioctyl adipate 489.56
    dimethyl sulfate 830.47
    ethyl butyrate 709.43
    methyl lactate 412.79
    butyl lactate 528.65
    diethyl carbonate 467.09
    propanediol butyl ether 462.55
    triethyl orthoformate 484.46
    p-tert-butyltoluene 251.3
    methyl 4-tert-butylbenzoate 632.08
    morpholine 1662.16
    tert-butylamine 499.38
    n-dodecanol 122.06
    dimethoxymethane 1018.91
    ethylene carbonate 1058.23
    cyrene 473.07
    2-ethoxyethyl acetate 947.95
    2-ethylhexyl acetate 736.07
    1,2,4-trichlorobenzene 1446.9
    4-methylpyridine 1896.58
    dibutyl ether 566.49
    2,6-dimethyl-4-heptanol 229.07
    DEF 1523.69
    dimethyl isosorbide 935.77
    tetrachloroethylene 2393.19
    eugenol 493.0
    triacetin 812.07
    span 80 525.58
    1,4-butanediol 145.11
    1,1-dichloroethane 2373.57
    2-methyl-1-pentanol 358.59
    methyl formate 572.87
    2-methyl-1-butanol 454.02
    n-decane 64.91
    butyronitrile 842.28
    3,7-dimethyl-1-octanol 282.06
    1-chlorooctane 309.88
    1-chlorotetradecane 114.39
    n-nonane 66.03
    undecane 45.52
    tert-butylcyclohexane 135.06
    cyclooctane 147.22
    cyclopentanol 954.34
    tetrahydropyran 1773.12
    tert-amyl methyl ether 670.86
    2,5,8-trioxanonane 833.9
    1-hexene 565.1
    2-isopropoxyethanol 427.37
    2,2,2-trifluoroethanol 303.9
    methyl butyrate 1040.29

    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