Oxacyclohexadecane-2,13-dione

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  • Identifiers

    CAS number
    38223-29-9

    Molecular formula
    C15H26O3

    SMILES
    C1CCCCCC(=O)OCCCC(=O)CCCC1

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Musk 74.07%
    Animal 58.47%
    Sweet 56.56%
    Coumarinic 49.98%
    Coconut 47.69%
    Powdery 46.0%
    Woody 43.75%
    Floral 42.59%
    Tobacco 38.69%
    Fatty 38.37%

     

    Flavor
    Minty 46.83%
    Fruity 42.19%
    Coconut 28.45%
    Animal 27.61%
    Coumarin 26.39%
    Buttery 24.2%
    Fatty 23.64%
    Musk 23.63%
    Tonka 23.24%
    Caramel 22.93%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    12.31 (strong base)

    Molecular weight
    254.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Flash point

    • 170.2 ˚C est.

  • Synonyms

    • Oxacyclohexadecane-2,13-dione
    • 12-Ketopentadecanolide
    • 38223-29-9
    • DTXSID8074784
    • 12-keto-pentadecanolide
    • 12-oxo-15-pentadecanolide
    • SCHEMBL2348331
    • DTXCID2039463
    • 1-oxacyclohexadecane-2,13-quinone
    • STL511279
    • AKOS000623136
    • DB-277273
    • NS00003694
    • 405-830-0
    • 639-108-3

  • Applications

    Oxacyclohexadecane-2,13-dione (CAS 38223-29-9) is considered a high-end organic synthesis intermediate and building block in specialty chemical manufacturing. In industry, it is commonly evaluated as a precursor for high-value polymers and plastics, a reactive intermediate in coatings and ink formulations, and a potential source for macrocyclic materials in niche specialty materials. It may also serve as a solvent or processing aid in specific formulations, with use governed by formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 363.7
    methanol 436.29
    isopropanol 298.44
    water 0.09
    ethyl acetate 666.08
    n-propanol 275.49
    acetone 995.68
    n-butanol 251.06
    acetonitrile 658.43
    DMF 1187.03
    toluene 309.71
    isobutanol 211.37
    1,4-dioxane 701.13
    methyl acetate 477.85
    THF 1179.85
    2-butanone 623.49
    n-pentanol 191.81
    sec-butanol 225.51
    n-hexane 34.53
    ethylene glycol 45.95
    NMP 1009.4
    cyclohexane 62.06
    DMSO 1635.07
    n-butyl acetate 503.58
    n-octanol 101.07
    chloroform 2096.91
    n-propyl acetate 496.23
    acetic acid 727.11
    dichloromethane 1905.57
    cyclohexanone 1084.99
    propylene glycol 94.18
    isopropyl acetate 485.44
    DMAc 1025.28
    2-ethoxyethanol 384.95
    isopentanol 276.22
    n-heptane 17.05
    ethyl formate 371.55
    1,2-dichloroethane 1165.65
    n-hexanol 184.83
    2-methoxyethanol 573.15
    isobutyl acetate 315.65
    tetrachloromethane 190.23
    n-pentyl acetate 369.17
    transcutol 1896.2
    n-heptanol 89.02
    ethylbenzene 172.22
    MIBK 407.67
    2-propoxyethanol 385.68
    tert-butanol 365.0
    MTBE 376.09
    2-butoxyethanol 277.97
    propionic acid 400.96
    o-xylene 187.3
    formic acid 183.03
    diethyl ether 398.33
    m-xylene 200.76
    p-xylene 214.02
    chlorobenzene 572.44
    dimethyl carbonate 214.25
    n-octane 8.26
    formamide 356.61
    cyclopentanone 1265.25
    2-pentanone 606.7
    anisole 370.57
    cyclopentyl methyl ether 527.56
    gamma-butyrolactone 1335.21
    1-methoxy-2-propanol 464.11
    pyridine 1076.83
    3-pentanone 398.03
    furfural 1174.23
    n-dodecane 7.66
    diethylene glycol 264.61
    diisopropyl ether 122.7
    tert-amyl alcohol 289.18
    acetylacetone 849.75
    n-hexadecane 9.17
    acetophenone 413.16
    methyl propionate 433.23
    isopentyl acetate 432.97
    trichloroethylene 2179.16
    n-nonanol 94.18
    cyclohexanol 313.7
    benzyl alcohol 306.39
    2-ethylhexanol 137.23
    isooctanol 89.84
    dipropyl ether 213.24
    1,2-dichlorobenzene 548.13
    ethyl lactate 190.0
    propylene carbonate 740.7
    n-methylformamide 503.04
    2-pentanol 188.14
    n-pentane 21.83
    1-propoxy-2-propanol 317.02
    1-methoxy-2-propyl acetate 436.57
    2-(2-methoxypropoxy) propanol 312.83
    mesitylene 128.05
    ε-caprolactone 882.6
    p-cymene 98.13
    epichlorohydrin 1299.82
    1,1,1-trichloroethane 896.1
    2-aminoethanol 145.55
    morpholine-4-carbaldehyde 904.73
    sulfolane 1511.09
    2,2,4-trimethylpentane 19.14
    2-methyltetrahydrofuran 756.3
    n-hexyl acetate 414.94
    isooctane 14.59
    2-(2-butoxyethoxy)ethanol 467.14
    sec-butyl acetate 329.09
    tert-butyl acetate 494.26
    decalin 42.47
    glycerin 168.32
    diglyme 950.01
    acrylic acid 372.71
    isopropyl myristate 136.82
    n-butyric acid 696.9
    acetyl acetate 529.36
    di(2-ethylhexyl) phthalate 148.55
    ethyl propionate 382.0
    nitromethane 1378.25
    1,2-diethoxyethane 503.12
    benzonitrile 533.96
    trioctyl phosphate 91.52
    1-bromopropane 517.65
    gamma-valerolactone 1404.7
    n-decanol 64.73
    triethyl phosphate 163.97
    4-methyl-2-pentanol 135.7
    propionitrile 442.26
    vinylene carbonate 675.23
    1,1,2-trichlorotrifluoroethane 907.21
    DMS 372.54
    cumene 114.56
    2-octanol 71.38
    2-hexanone 432.81
    octyl acetate 173.06
    limonene 141.88
    1,2-dimethoxyethane 761.33
    ethyl orthosilicate 147.34
    tributyl phosphate 141.13
    diacetone alcohol 466.17
    N,N-dimethylaniline 226.6
    acrylonitrile 645.34
    aniline 395.07
    1,3-propanediol 265.01
    bromobenzene 652.12
    dibromomethane 1130.12
    1,1,2,2-tetrachloroethane 1688.38
    2-methyl-cyclohexyl acetate 257.91
    tetrabutyl urea 172.06
    diisobutyl methanol 98.58
    2-phenylethanol 231.76
    styrene 258.81
    dioctyl adipate 235.47
    dimethyl sulfate 408.33
    ethyl butyrate 342.43
    methyl lactate 231.19
    butyl lactate 268.86
    diethyl carbonate 239.14
    propanediol butyl ether 282.13
    triethyl orthoformate 229.03
    p-tert-butyltoluene 90.56
    methyl 4-tert-butylbenzoate 319.62
    morpholine 855.27
    tert-butylamine 209.33
    n-dodecanol 47.3
    dimethoxymethane 513.77
    ethylene carbonate 583.3
    cyrene 276.93
    2-ethoxyethyl acetate 507.93
    2-ethylhexyl acetate 326.64
    1,2,4-trichlorobenzene 619.96
    4-methylpyridine 915.17
    dibutyl ether 223.75
    2,6-dimethyl-4-heptanol 98.58
    DEF 672.6
    dimethyl isosorbide 513.91
    tetrachloroethylene 1068.53
    eugenol 289.2
    triacetin 484.68
    span 80 293.42
    1,4-butanediol 100.96
    1,1-dichloroethane 1027.23
    2-methyl-1-pentanol 204.1
    methyl formate 342.24
    2-methyl-1-butanol 229.74
    n-decane 13.8
    butyronitrile 467.87
    3,7-dimethyl-1-octanol 130.56
    1-chlorooctane 91.34
    1-chlorotetradecane 32.98
    n-nonane 12.23
    undecane 9.78
    tert-butylcyclohexane 33.49
    cyclooctane 18.21
    cyclopentanol 347.52
    tetrahydropyran 741.47
    tert-amyl methyl ether 274.49
    2,5,8-trioxanonane 558.6
    1-hexene 161.12
    2-isopropoxyethanol 291.91
    2,2,2-trifluoroethanol 234.34
    methyl butyrate 552.58

    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