1,8-Dioxacycloheptadecan-9-one

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  • Identifiers

    CAS number
    1725-01-5

    Molecular formula
    C15H28O3

    SMILES
    C1CCCCOCCCCCCOC(=O)CCC1

  • Odor profile

    Fragrance
    Sweet 85.69%
    Musk 76.39%
    Fruity 69.77%
    Animal 59.17%
    Floral 48.79%
    Oily 46.55%
    Woody 45.81%
    Waxy 43.88%
    Amber 42.87%
    Powdery 41.59%

     

    Flavor
    Fruity 51.4%
    Animal 35.42%
    Minty 26.75%
    Natural 26.26%
    Musk 23.72%
    Powdery 23.08%
    Shrimp 22.17%
    Alkaline 21.19%
    Beet 20.67%
    Cauliflower 20.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    11.56 (strong base)

    Molecular weight
    256.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 161.17 ˚C est.

  • Synonyms

    • 1,8-Dioxacycloheptadecan-9-one
    • Oxalide
    • 1725-01-5
    • EINECS 217-033-3
    • BRN 1344777
    • FZF9KV5GWY
    • 9-((6-Hydroxyhexyl)oxy)nonanoic acid omicron-lactone
    • DTXSID5051789
    • musk nonane
    • Oxalide T
    • UNII-FZF9KV5GWY
    • SCHEMBL273031
    • DTXCID8030344
    • MZLRFHKWWCSGHB-UHFFFAOYSA-N
    • AKOS015910635
    • DS-021015
    • NS00013097
    • 217-033-3

  • Applications

    1,8-Dioxacycloheptadecan-9-one (CAS 1725-01-5) is a macrocyclic di-ether bearing a ketone within the ring. It is commonly evaluated as a chelating ligand and building block in coordination chemistry and catalysis. In practice, it can serve as an intermediate for the synthesis of more complex macrocyclic ligands and host–guest receptors used in supramolecular chemistry. It may also function as a phase-transfer catalyst in certain organic reactions and as a functional component in polymer and materials systems where metal complexation is desired. Additionally, it is sometimes considered as a potential additive or scaffold in electronic/ion-sensing formulations, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 649.98
    methanol 698.54
    isopropanol 612.58
    water 0.12
    ethyl acetate 1147.23
    n-propanol 583.46
    acetone 1207.19
    n-butanol 572.45
    acetonitrile 876.25
    DMF 925.11
    toluene 626.73
    isobutanol 473.52
    1,4-dioxane 1182.07
    methyl acetate 662.43
    THF 1775.42
    2-butanone 866.47
    n-pentanol 386.82
    sec-butanol 501.0
    n-hexane 166.37
    ethylene glycol 69.74
    NMP 990.18
    cyclohexane 425.75
    DMSO 1664.71
    n-butyl acetate 833.5
    n-octanol 228.19
    chloroform 3832.12
    n-propyl acetate 838.75
    acetic acid 963.07
    dichloromethane 3405.69
    cyclohexanone 1732.13
    propylene glycol 133.14
    isopropyl acetate 766.82
    DMAc 852.47
    2-ethoxyethanol 558.08
    isopentanol 566.69
    n-heptane 111.28
    ethyl formate 581.1
    1,2-dichloroethane 1989.78
    n-hexanol 369.07
    2-methoxyethanol 779.56
    isobutyl acetate 512.54
    tetrachloromethane 510.08
    n-pentyl acetate 684.72
    transcutol 2294.61
    n-heptanol 205.56
    ethylbenzene 316.66
    MIBK 606.0
    2-propoxyethanol 566.96
    tert-butanol 675.17
    MTBE 619.92
    2-butoxyethanol 470.07
    propionic acid 625.96
    o-xylene 362.37
    formic acid 210.43
    diethyl ether 903.64
    m-xylene 375.06
    p-xylene 417.88
    chlorobenzene 989.99
    dimethyl carbonate 233.73
    n-octane 42.57
    formamide 350.9
    cyclopentanone 1671.69
    2-pentanone 927.29
    anisole 512.06
    cyclopentyl methyl ether 958.6
    gamma-butyrolactone 1741.59
    1-methoxy-2-propanol 648.89
    pyridine 1661.41
    3-pentanone 666.86
    furfural 1454.52
    n-dodecane 28.99
    diethylene glycol 336.5
    diisopropyl ether 282.92
    tert-amyl alcohol 521.78
    acetylacetone 980.31
    n-hexadecane 34.77
    acetophenone 565.12
    methyl propionate 650.26
    isopentyl acetate 655.49
    trichloroethylene 3279.31
    n-nonanol 205.74
    cyclohexanol 804.51
    benzyl alcohol 436.55
    2-ethylhexanol 292.83
    isooctanol 197.25
    dipropyl ether 530.67
    1,2-dichlorobenzene 886.52
    ethyl lactate 277.3
    propylene carbonate 967.54
    n-methylformamide 534.85
    2-pentanol 453.52
    n-pentane 131.12
    1-propoxy-2-propanol 521.68
    1-methoxy-2-propyl acetate 579.66
    2-(2-methoxypropoxy) propanol 397.17
    mesitylene 248.54
    ε-caprolactone 1395.66
    p-cymene 197.62
    epichlorohydrin 1757.27
    1,1,1-trichloroethane 1633.45
    2-aminoethanol 211.38
    morpholine-4-carbaldehyde 978.81
    sulfolane 1843.64
    2,2,4-trimethylpentane 60.81
    2-methyltetrahydrofuran 1341.14
    n-hexyl acetate 687.05
    isooctane 46.6
    2-(2-butoxyethoxy)ethanol 627.87
    sec-butyl acetate 539.46
    tert-butyl acetate 709.9
    decalin 131.01
    glycerin 206.34
    diglyme 1243.89
    acrylic acid 501.58
    isopropyl myristate 242.25
    n-butyric acid 1235.9
    acetyl acetate 729.18
    di(2-ethylhexyl) phthalate 210.59
    ethyl propionate 664.93
    nitromethane 1447.41
    1,2-diethoxyethane 856.63
    benzonitrile 761.34
    trioctyl phosphate 152.89
    1-bromopropane 1181.34
    gamma-valerolactone 1737.58
    n-decanol 139.81
    triethyl phosphate 262.73
    4-methyl-2-pentanol 274.29
    propionitrile 748.39
    vinylene carbonate 886.87
    1,1,2-trichlorotrifluoroethane 1188.48
    DMS 452.19
    cumene 200.57
    2-octanol 164.47
    2-hexanone 665.24
    octyl acetate 293.14
    limonene 324.3
    1,2-dimethoxyethane 1064.18
    ethyl orthosilicate 249.51
    tributyl phosphate 216.95
    diacetone alcohol 588.34
    N,N-dimethylaniline 321.2
    acrylonitrile 866.8
    aniline 670.69
    1,3-propanediol 407.85
    bromobenzene 1183.27
    dibromomethane 2335.56
    1,1,2,2-tetrachloroethane 2647.46
    2-methyl-cyclohexyl acetate 426.99
    tetrabutyl urea 266.83
    diisobutyl methanol 201.25
    2-phenylethanol 347.0
    styrene 459.09
    dioctyl adipate 380.77
    dimethyl sulfate 402.73
    ethyl butyrate 636.04
    methyl lactate 278.55
    butyl lactate 414.7
    diethyl carbonate 402.01
    propanediol butyl ether 409.58
    triethyl orthoformate 414.67
    p-tert-butyltoluene 175.72
    methyl 4-tert-butylbenzoate 454.43
    morpholine 1380.85
    tert-butylamine 455.57
    n-dodecanol 107.37
    dimethoxymethane 616.05
    ethylene carbonate 840.32
    cyrene 351.57
    2-ethoxyethyl acetate 704.05
    2-ethylhexyl acetate 522.08
    1,2,4-trichlorobenzene 934.12
    4-methylpyridine 1309.43
    dibutyl ether 536.36
    2,6-dimethyl-4-heptanol 201.25
    DEF 919.97
    dimethyl isosorbide 652.33
    tetrachloroethylene 1938.75
    eugenol 381.56
    triacetin 665.31
    span 80 423.95
    1,4-butanediol 162.93
    1,1-dichloroethane 1857.73
    2-methyl-1-pentanol 371.02
    methyl formate 376.69
    2-methyl-1-butanol 477.88
    n-decane 56.98
    butyronitrile 859.8
    3,7-dimethyl-1-octanol 250.08
    1-chlorooctane 246.15
    1-chlorotetradecane 84.52
    n-nonane 58.21
    undecane 37.86
    tert-butylcyclohexane 96.59
    cyclooctane 115.83
    cyclopentanol 726.01
    tetrahydropyran 1636.02
    tert-amyl methyl ether 468.51
    2,5,8-trioxanonane 728.27
    1-hexene 454.0
    2-isopropoxyethanol 442.74
    2,2,2-trifluoroethanol 298.58
    methyl butyrate 949.82

    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