Oxacyclohexadecan-3-one

  • Identifiers

    Molecular formula
    C15H28O2

    SMILES
    C1CCCCCCC(=O)COCCCCCC1

  • Odor profile

    Fragrance
    Musk 85.61%
    Animal 66.29%
    Powdery 54.87%
    Sweet 54.44%
    Amber 54.42%
    Woody 50.63%
    Dry 42.91%
    Floral 40.77%
    Clean 37.29%
    Natural 35.55%

     

    Flavor
    Fruity 42.37%
    Animal 32.17%
    Minty 26.11%
    Shrimp 22.65%
    Natural 21.32%
    Musk 21.21%
    Alkaline 21.18%
    Camphor 20.66%
    Beet 20.62%
    Soil 20.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    12.12 (strong base)

    Molecular weight
    240.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    327°C

    Flash point

    • 155.18 ˚C est.

  • Synonyms

    • SCHEMBL7560520
  • Applications

    Oxacyclohexadecan-3-one is primarily regarded as an intermediate in organic synthesis and serves as a building block for macrocyclic compounds and specialty polymers. It may also be used as a precursor in pharmaceutical and fine-chemical research. In industry, it can function as a precursor component for plastics and specialty polymers and may be explored as a constituent for coating, ink, and adhesive formulations to help form polymer networks. Additionally, it may be evaluated as a solvent or co-solvent in certain formulations and processing steps, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 800.59
    methanol 682.5
    isopropanol 898.46
    water 0.09
    ethyl acetate 2137.48
    n-propanol 848.33
    acetone 2188.43
    n-butanol 857.74
    acetonitrile 1332.83
    DMF 1702.6
    toluene 1050.69
    isobutanol 729.53
    1,4-dioxane 2062.7
    methyl acetate 1214.49
    THF 3239.27
    2-butanone 1563.3
    n-pentanol 509.06
    sec-butanol 745.0
    n-hexane 387.18
    ethylene glycol 93.55
    NMP 1686.53
    cyclohexane 1127.03
    DMSO 2145.12
    n-butyl acetate 1694.58
    n-octanol 378.61
    chloroform 5355.14
    n-propyl acetate 1452.68
    acetic acid 1208.17
    dichloromethane 4608.42
    cyclohexanone 3199.79
    propylene glycol 206.85
    isopropyl acetate 1508.12
    DMAc 1208.34
    2-ethoxyethanol 742.97
    isopentanol 847.22
    n-heptane 344.32
    ethyl formate 1020.39
    1,2-dichloroethane 3005.79
    n-hexanol 620.14
    2-methoxyethanol 1155.46
    isobutyl acetate 877.32
    tetrachloromethane 1020.38
    n-pentyl acetate 1297.93
    transcutol 3487.33
    n-heptanol 367.07
    ethylbenzene 534.46
    MIBK 1080.98
    2-propoxyethanol 910.13
    tert-butanol 1126.53
    MTBE 1207.43
    2-butoxyethanol 768.29
    propionic acid 975.04
    o-xylene 625.34
    formic acid 225.35
    diethyl ether 1614.45
    m-xylene 654.88
    p-xylene 686.19
    chlorobenzene 1630.94
    dimethyl carbonate 449.98
    n-octane 112.03
    formamide 441.06
    cyclopentanone 3101.24
    2-pentanone 1708.88
    anisole 856.76
    cyclopentyl methyl ether 1830.19
    gamma-butyrolactone 3155.33
    1-methoxy-2-propanol 1046.46
    pyridine 2599.93
    3-pentanone 1287.39
    furfural 2409.97
    n-dodecane 60.01
    diethylene glycol 497.87
    diisopropyl ether 618.64
    tert-amyl alcohol 863.99
    acetylacetone 1873.68
    n-hexadecane 73.64
    acetophenone 879.51
    methyl propionate 1201.72
    isopentyl acetate 1292.98
    trichloroethylene 4910.24
    n-nonanol 349.13
    cyclohexanol 1418.63
    benzyl alcohol 624.05
    2-ethylhexanol 545.81
    isooctanol 368.23
    dipropyl ether 1250.9
    1,2-dichlorobenzene 1516.52
    ethyl lactate 457.05
    propylene carbonate 1805.14
    n-methylformamide 848.8
    2-pentanol 743.73
    n-pentane 319.19
    1-propoxy-2-propanol 937.92
    1-methoxy-2-propyl acetate 1111.85
    2-(2-methoxypropoxy) propanol 609.82
    mesitylene 467.17
    ε-caprolactone 2315.01
    p-cymene 393.75
    epichlorohydrin 2908.33
    1,1,1-trichloroethane 3021.22
    2-aminoethanol 278.46
    morpholine-4-carbaldehyde 1604.81
    sulfolane 3214.21
    2,2,4-trimethylpentane 132.15
    2-methyltetrahydrofuran 2276.56
    n-hexyl acetate 1279.41
    isooctane 111.88
    2-(2-butoxyethoxy)ethanol 937.93
    sec-butyl acetate 998.49
    tert-butyl acetate 1370.63
    decalin 289.41
    glycerin 299.03
    diglyme 2005.48
    acrylic acid 763.79
    isopropyl myristate 457.86
    n-butyric acid 1940.51
    acetyl acetate 1345.05
    di(2-ethylhexyl) phthalate 312.43
    ethyl propionate 1203.26
    nitromethane 2162.76
    1,2-diethoxyethane 1604.17
    benzonitrile 1139.54
    trioctyl phosphate 253.42
    1-bromopropane 1840.72
    gamma-valerolactone 3145.18
    n-decanol 236.62
    triethyl phosphate 487.27
    4-methyl-2-pentanol 470.09
    propionitrile 1247.15
    vinylene carbonate 1490.83
    1,1,2-trichlorotrifluoroethane 1952.63
    DMS 811.39
    cumene 347.81
    2-octanol 309.24
    2-hexanone 1122.1
    octyl acetate 526.03
    limonene 685.08
    1,2-dimethoxyethane 1645.52
    ethyl orthosilicate 468.11
    tributyl phosphate 370.47
    diacetone alcohol 1022.19
    N,N-dimethylaniline 501.97
    acrylonitrile 1398.33
    aniline 1087.5
    1,3-propanediol 608.16
    bromobenzene 1929.38
    dibromomethane 3255.92
    1,1,2,2-tetrachloroethane 4216.67
    2-methyl-cyclohexyl acetate 771.17
    tetrabutyl urea 441.47
    diisobutyl methanol 423.47
    2-phenylethanol 544.45
    styrene 747.81
    dioctyl adipate 657.94
    dimethyl sulfate 720.65
    ethyl butyrate 1294.23
    methyl lactate 492.53
    butyl lactate 728.38
    diethyl carbonate 746.68
    propanediol butyl ether 614.03
    triethyl orthoformate 847.01
    p-tert-butyltoluene 361.55
    methyl 4-tert-butylbenzoate 761.64
    morpholine 2303.96
    tert-butylamine 810.74
    n-dodecanol 181.22
    dimethoxymethane 1079.69
    ethylene carbonate 1468.51
    cyrene 498.37
    2-ethoxyethyl acetate 1203.73
    2-ethylhexyl acetate 1050.53
    1,2,4-trichlorobenzene 1549.73
    4-methylpyridine 2048.04
    dibutyl ether 1100.17
    2,6-dimethyl-4-heptanol 423.47
    DEF 1689.88
    dimethyl isosorbide 1085.79
    tetrachloroethylene 3072.39
    eugenol 561.09
    triacetin 1120.96
    span 80 659.34
    1,4-butanediol 209.92
    1,1-dichloroethane 2857.85
    2-methyl-1-pentanol 515.95
    methyl formate 639.43
    2-methyl-1-butanol 733.48
    n-decane 127.88
    butyronitrile 1397.39
    3,7-dimethyl-1-octanol 456.43
    1-chlorooctane 498.99
    1-chlorotetradecane 169.46
    n-nonane 140.4
    undecane 81.26
    tert-butylcyclohexane 211.09
    cyclooctane 310.81
    cyclopentanol 1252.7
    tetrahydropyran 2922.59
    tert-amyl methyl ether 914.3
    2,5,8-trioxanonane 1115.72
    1-hexene 814.68
    2-isopropoxyethanol 627.73
    2,2,2-trifluoroethanol 459.95
    methyl butyrate 1670.44

    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