Oxecane-2,10-dione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4196-95-6

    Molecular formula
    C9H14O3

    SMILES
    C1CCCC(=O)OC(=O)CCC1

    Safety labels

  • Odor profile

    Fragrance
    Coconut 59.72%
    Fatty 57.25%
    Coumarinic 54.51%
    Creamy 53.62%
    Sweet 50.73%
    Buttery 44.78%
    Lactonic 44.14%
    Oily 43.37%
    Tobacco 40.94%
    Musk 38.82%

     

    Flavor
    Sweet 43.75%
    Fatty 42.02%
    Coconut 39.0%
    Buttery 34.01%
    Tonka 33.68%
    Creamy 32.46%
    Caramel 32.03%
    Coumarin 30.22%
    Oily 28.98%
    Minty 27.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    5.87 (weak acid)

    Molecular weight
    170.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 111.99 ˚C est.

  • Synonyms

    • Oxecane-2,10-dione
    • 4196-95-6
    • DTXSID20430744
    • RefChem:367350
    • DTXCID90381577
    • 2,10-Oxecanedione
    • AZELAICANHYDRIDE
    • azelaic anhydride
    • MFCD28362904
    • HXR5BK5BRC
    • SCHEMBL352523
    • BS-53288
    • SY260702
    • CS-0433509
    • NS00112929
    • F16497
    • 4196-95-6

  • Applications

    Oxecane-2,10-dione (CAS 4196-95-6) is used primarily as an organic-synthesis intermediate and building block across several chemical and materials sectors. In industrial manufacturing it may function as a solvent-like processing aid or a reactive intermediate; in polymers and plastics it can serve as a precursor to specialty monomers and, under appropriate conditions, as a crosslinking or modifying agent. In cosmetics and perfumery it may act as a fragrance precursor or odorant component; in coatings, inks and adhesives it can be employed as a reactive intermediate or formulation additive to modify properties. In pharmaceuticals it is commonly evaluated as a synthetic building block for drug intermediates, subject to regulatory controls; in cleaning and household products it may be used as a processing solvent or formulation aid. Actual applications depend on regulatory status and formulation design.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 116.23
    methanol 181.28
    isopropanol 94.18
    water 0.24
    ethyl acetate 165.44
    n-propanol 88.57
    acetone 421.98
    n-butanol 78.46
    acetonitrile 184.42
    DMF 925.28
    toluene 80.82
    isobutanol 69.23
    1,4-dioxane 289.5
    methyl acetate 191.82
    THF 613.09
    2-butanone 244.3
    n-pentanol 58.78
    sec-butanol 72.02
    n-hexane 8.37
    ethylene glycol 47.26
    NMP 963.18
    cyclohexane 11.73
    DMSO 1070.65
    n-butyl acetate 120.46
    n-octanol 46.09
    chloroform 641.24
    n-propyl acetate 106.09
    acetic acid 294.79
    dichloromethane 647.11
    cyclohexanone 446.54
    propylene glycol 60.72
    isopropyl acetate 113.26
    DMAc 617.98
    2-ethoxyethanol 105.56
    isopentanol 73.39
    n-heptane 4.71
    ethyl formate 134.92
    1,2-dichloroethane 402.03
    n-hexanol 61.26
    2-methoxyethanol 226.19
    isobutyl acetate 68.52
    tetrachloromethane 38.53
    n-pentyl acetate 96.87
    transcutol 376.33
    n-heptanol 34.52
    ethylbenzene 48.63
    MIBK 113.83
    2-propoxyethanol 148.02
    tert-butanol 117.87
    MTBE 87.57
    2-butoxyethanol 86.36
    propionic acid 185.87
    o-xylene 61.64
    formic acid 77.68
    diethyl ether 90.24
    m-xylene 62.5
    p-xylene 66.51
    chlorobenzene 187.79
    dimethyl carbonate 97.19
    n-octane 3.64
    formamide 133.74
    cyclopentanone 766.43
    2-pentanone 199.67
    anisole 107.88
    cyclopentyl methyl ether 188.74
    gamma-butyrolactone 897.36
    1-methoxy-2-propanol 184.48
    pyridine 355.27
    3-pentanone 150.39
    furfural 555.08
    n-dodecane 4.28
    diethylene glycol 135.53
    diisopropyl ether 29.38
    tert-amyl alcohol 87.74
    acetylacetone 316.31
    n-hexadecane 5.06
    acetophenone 141.9
    methyl propionate 174.44
    isopentyl acetate 108.41
    trichloroethylene 781.49
    n-nonanol 40.48
    cyclohexanol 101.89
    benzyl alcohol 97.1
    2-ethylhexanol 41.27
    isooctanol 30.38
    dipropyl ether 47.54
    1,2-dichlorobenzene 186.6
    ethyl lactate 68.22
    propylene carbonate 388.96
    n-methylformamide 289.27
    2-pentanol 53.05
    n-pentane 5.82
    1-propoxy-2-propanol 101.92
    1-methoxy-2-propyl acetate 139.46
    2-(2-methoxypropoxy) propanol 120.74
    mesitylene 41.62
    ε-caprolactone 351.22
    p-cymene 32.9
    epichlorohydrin 607.78
    1,1,1-trichloroethane 257.55
    2-aminoethanol 75.94
    morpholine-4-carbaldehyde 508.88
    sulfolane 1233.02
    2,2,4-trimethylpentane 5.36
    2-methyltetrahydrofuran 315.42
    n-hexyl acetate 140.84
    isooctane 4.3
    2-(2-butoxyethoxy)ethanol 151.34
    sec-butyl acetate 70.81
    tert-butyl acetate 129.44
    decalin 12.07
    glycerin 106.53
    diglyme 259.54
    acrylic acid 203.82
    isopropyl myristate 52.82
    n-butyric acid 208.98
    acetyl acetate 145.32
    di(2-ethylhexyl) phthalate 66.94
    ethyl propionate 102.04
    nitromethane 518.34
    1,2-diethoxyethane 100.88
    benzonitrile 177.82
    trioctyl phosphate 45.77
    1-bromopropane 146.81
    gamma-valerolactone 674.6
    n-decanol 31.43
    triethyl phosphate 55.03
    4-methyl-2-pentanol 35.82
    propionitrile 130.74
    vinylene carbonate 315.61
    1,1,2-trichlorotrifluoroethane 335.0
    DMS 154.08
    cumene 35.9
    2-octanol 29.6
    2-hexanone 118.27
    octyl acetate 70.56
    limonene 46.45
    1,2-dimethoxyethane 219.94
    ethyl orthosilicate 46.77
    tributyl phosphate 56.65
    diacetone alcohol 161.67
    N,N-dimethylaniline 85.77
    acrylonitrile 214.53
    aniline 109.31
    1,3-propanediol 106.17
    bromobenzene 199.71
    dibromomethane 385.96
    1,1,2,2-tetrachloroethane 566.43
    2-methyl-cyclohexyl acetate 83.76
    tetrabutyl urea 82.47
    diisobutyl methanol 29.7
    2-phenylethanol 91.45
    styrene 66.55
    dioctyl adipate 89.2
    dimethyl sulfate 242.77
    ethyl butyrate 85.73
    methyl lactate 117.13
    butyl lactate 89.27
    diethyl carbonate 65.96
    propanediol butyl ether 106.82
    triethyl orthoformate 60.46
    p-tert-butyltoluene 32.25
    methyl 4-tert-butylbenzoate 133.84
    morpholine 307.53
    tert-butylamine 60.32
    n-dodecanol 24.92
    dimethoxymethane 235.58
    ethylene carbonate 238.79
    cyrene 148.49
    2-ethoxyethyl acetate 128.97
    2-ethylhexyl acetate 83.32
    1,2,4-trichlorobenzene 227.87
    4-methylpyridine 287.62
    dibutyl ether 52.42
    2,6-dimethyl-4-heptanol 29.7
    DEF 254.33
    dimethyl isosorbide 226.97
    tetrachloroethylene 300.43
    eugenol 121.46
    triacetin 154.2
    span 80 114.52
    1,4-butanediol 44.81
    1,1-dichloroethane 331.81
    2-methyl-1-pentanol 55.87
    methyl formate 215.26
    2-methyl-1-butanol 63.72
    n-decane 6.48
    butyronitrile 130.98
    3,7-dimethyl-1-octanol 44.92
    1-chlorooctane 34.76
    1-chlorotetradecane 15.87
    n-nonane 5.81
    undecane 5.07
    tert-butylcyclohexane 9.75
    cyclooctane 4.1
    cyclopentanol 178.59
    tetrahydropyran 232.8
    tert-amyl methyl ether 73.12
    2,5,8-trioxanonane 191.28
    1-hexene 39.93
    2-isopropoxyethanol 75.49
    2,2,2-trifluoroethanol 102.52
    methyl butyrate 149.07

    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