Oxacycloundecane-2,11-dione

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  • Identifiers

    CAS number
    2561-88-8

    Molecular formula
    C10H16O3

    SMILES
    C1CCCCC(=O)OC(=O)CCC1

    Safety labels

  • Odor profile

    Fragrance
    Coconut 58.28%
    Fatty 58.08%
    Sweet 56.01%
    Coumarinic 53.7%
    Creamy 53.45%
    Musk 48.36%
    Lactonic 43.12%
    Oily 43.02%
    Buttery 42.1%
    Waxy 41.99%

     

    Flavor
    Fatty 40.56%
    Sweet 40.17%
    Coconut 38.6%
    Buttery 32.68%
    Tonka 32.47%
    Fruity 31.43%
    Creamy 31.41%
    Caramel 29.77%
    Coumarin 29.34%
    Minty 29.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.39 (neutral)

    Molecular weight
    184.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point

    • 122.01 ˚C est.

  • Synonyms

    • Oxacycloundecane-2,11-dione
    • 2561-88-8
    • EINECS 219-882-5
    • DTXSID3062522
    • RefChem:168773
    • DTXCID8037336
    • 219-882-5
    • sebacic anhydride
    • 1-OXACYCLOUNDECANE-2,11-DIONE
    • sebacoyl oxide
    • sebacic acid anhydride
    • WV46PVP2DP
    • SCHEMBL351937
    • SY489892
    • NS00027924
    • 2561-88-8

  • Applications

    Oxacycloundecane-2,11-dione (CAS 2561-88-8) is primarily used as an intermediate in organic synthesis and as a specialized building block for macrocyclic ligands in coordination chemistry. It is commonly evaluated for incorporation into specialty polymers and materials development, including advanced polymers, coatings, and electronic materials, where its rigid, oxygen-containing cyclic-dione scaffold can be advantageous. In pharmaceutical research and development, it may serve as a precursor in synthetic sequences that require a cyclic dione motif. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 126.08
    methanol 171.17
    isopropanol 120.94
    water 0.14
    ethyl acetate 218.69
    n-propanol 108.94
    acetone 543.95
    n-butanol 97.76
    acetonitrile 227.26
    DMF 1100.32
    toluene 112.56
    isobutanol 90.58
    1,4-dioxane 335.13
    methyl acetate 256.48
    THF 798.65
    2-butanone 353.38
    n-pentanol 73.13
    sec-butanol 93.28
    n-hexane 11.17
    ethylene glycol 41.55
    NMP 1190.58
    cyclohexane 17.88
    DMSO 1195.11
    n-butyl acetate 157.88
    n-octanol 55.13
    chloroform 928.2
    n-propyl acetate 150.13
    acetic acid 283.19
    dichloromethane 934.15
    cyclohexanone 630.72
    propylene glycol 67.06
    isopropyl acetate 155.25
    DMAc 780.41
    2-ethoxyethanol 126.97
    isopentanol 95.13
    n-heptane 6.1
    ethyl formate 174.31
    1,2-dichloroethane 582.66
    n-hexanol 72.64
    2-methoxyethanol 253.37
    isobutyl acetate 95.26
    tetrachloromethane 59.27
    n-pentyl acetate 135.91
    transcutol 396.94
    n-heptanol 42.45
    ethylbenzene 66.04
    MIBK 155.89
    2-propoxyethanol 162.55
    tert-butanol 150.04
    MTBE 120.25
    2-butoxyethanol 108.42
    propionic acid 223.47
    o-xylene 82.67
    formic acid 68.05
    diethyl ether 112.23
    m-xylene 82.14
    p-xylene 93.13
    chlorobenzene 255.32
    dimethyl carbonate 122.07
    n-octane 4.87
    formamide 136.81
    cyclopentanone 1074.65
    2-pentanone 266.93
    anisole 143.19
    cyclopentyl methyl ether 251.88
    gamma-butyrolactone 1171.45
    1-methoxy-2-propanol 224.46
    pyridine 492.74
    3-pentanone 211.89
    furfural 721.75
    n-dodecane 5.44
    diethylene glycol 131.71
    diisopropyl ether 38.89
    tert-amyl alcohol 113.43
    acetylacetone 409.68
    n-hexadecane 6.49
    acetophenone 191.8
    methyl propionate 230.34
    isopentyl acetate 142.94
    trichloroethylene 1133.65
    n-nonanol 49.72
    cyclohexanol 131.83
    benzyl alcohol 124.36
    2-ethylhexanol 51.45
    isooctanol 38.56
    dipropyl ether 61.57
    1,2-dichlorobenzene 255.9
    ethyl lactate 89.06
    propylene carbonate 516.09
    n-methylformamide 336.9
    2-pentanol 68.28
    n-pentane 7.33
    1-propoxy-2-propanol 118.62
    1-methoxy-2-propyl acetate 172.11
    2-(2-methoxypropoxy) propanol 138.3
    mesitylene 53.51
    ε-caprolactone 470.06
    p-cymene 42.53
    epichlorohydrin 835.32
    1,1,1-trichloroethane 399.54
    2-aminoethanol 79.95
    morpholine-4-carbaldehyde 628.37
    sulfolane 1636.36
    2,2,4-trimethylpentane 6.98
    2-methyltetrahydrofuran 421.81
    n-hexyl acetate 189.64
    isooctane 5.42
    2-(2-butoxyethoxy)ethanol 173.84
    sec-butyl acetate 99.58
    tert-butyl acetate 170.21
    decalin 16.17
    glycerin 115.84
    diglyme 310.98
    acrylic acid 229.32
    isopropyl myristate 69.15
    n-butyric acid 262.69
    acetyl acetate 183.07
    di(2-ethylhexyl) phthalate 81.46
    ethyl propionate 140.51
    nitromethane 589.53
    1,2-diethoxyethane 121.32
    benzonitrile 233.31
    trioctyl phosphate 56.0
    1-bromopropane 214.54
    gamma-valerolactone 877.82
    n-decanol 37.86
    triethyl phosphate 69.42
    4-methyl-2-pentanol 45.89
    propionitrile 179.88
    vinylene carbonate 409.33
    1,1,2-trichlorotrifluoroethane 439.68
    DMS 194.64
    cumene 47.61
    2-octanol 37.23
    2-hexanone 163.76
    octyl acetate 90.8
    limonene 61.08
    1,2-dimethoxyethane 275.83
    ethyl orthosilicate 58.72
    tributyl phosphate 71.25
    diacetone alcohol 206.05
    N,N-dimethylaniline 108.55
    acrylonitrile 287.72
    aniline 144.49
    1,3-propanediol 119.87
    bromobenzene 281.54
    dibromomethane 550.34
    1,1,2,2-tetrachloroethane 828.62
    2-methyl-cyclohexyl acetate 108.94
    tetrabutyl urea 103.83
    diisobutyl methanol 37.16
    2-phenylethanol 109.07
    styrene 92.84
    dioctyl adipate 116.07
    dimethyl sulfate 299.2
    ethyl butyrate 113.35
    methyl lactate 145.02
    butyl lactate 116.6
    diethyl carbonate 86.88
    propanediol butyl ether 128.62
    triethyl orthoformate 76.7
    p-tert-butyltoluene 41.17
    methyl 4-tert-butylbenzoate 170.43
    morpholine 379.78
    tert-butylamine 77.21
    n-dodecanol 30.1
    dimethoxymethane 285.46
    ethylene carbonate 308.47
    cyrene 184.34
    2-ethoxyethyl acetate 167.32
    2-ethylhexyl acetate 109.42
    1,2,4-trichlorobenzene 315.0
    4-methylpyridine 384.16
    dibutyl ether 70.23
    2,6-dimethyl-4-heptanol 37.16
    DEF 329.02
    dimethyl isosorbide 277.18
    tetrachloroethylene 432.04
    eugenol 150.72
    triacetin 201.22
    span 80 137.66
    1,4-butanediol 49.45
    1,1-dichloroethane 486.9
    2-methyl-1-pentanol 70.03
    methyl formate 246.89
    2-methyl-1-butanol 82.8
    n-decane 8.35
    butyronitrile 176.06
    3,7-dimethyl-1-octanol 56.44
    1-chlorooctane 47.5
    1-chlorotetradecane 20.39
    n-nonane 7.59
    undecane 6.52
    tert-butylcyclohexane 12.83
    cyclooctane 5.69
    cyclopentanol 233.85
    tetrahydropyran 304.95
    tert-amyl methyl ether 99.57
    2,5,8-trioxanonane 223.59
    1-hexene 54.75
    2-isopropoxyethanol 93.37
    2,2,2-trifluoroethanol 108.47
    methyl butyrate 210.17

    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