Oxireno(4,5)cyclodeca(1,2-b)furan-8(1aH)-one, 6-(acetyloxy)decahydro-10-hydroxy-1a,5-dimethyl-9-methylene-, (1aR,5R,6R,6aS,9aR,10R,10aR)-

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  • Identifiers

    CAS number
    111545-48-3

    Molecular formula
    C17H24O6

    SMILES
    CC1CCCC2(C(O2)C(C3C(C1OC(=O)C)OC(=O)C3=C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.53%
    Caramellic 25.64%
    Sweet 24.47%
    Burnt 22.13%
    Roasted 20.44%
    Nutty 19.93%
    Spicy 18.78%
    Mint 18.48%
    Woody 18.02%
    Milky 17.22%

     

    Flavor
    Bitter 80.15%
    Minty 22.69%
    Cedarleaf 21.24%
    Sweet-like 20.4%
    Fenugreek 20.39%
    Cotton candy 20.28%
    Leaves 20.21%
    Seedy 20.2%
    Extremely sweet 20.11%
    Ripe apricot 20.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.15 (neutral)

    Molecular weight
    324.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    452°C

    Melting point expt.

    • 247 - 250 °C

    Flash point

    • 170.12 ˚C est.

  • Synonyms

    • 111545-48-3
    • Oxireno[4,5]cyclodeca[1,2-b]furan-8(1aH)-one, 6-(acetyloxy)decahydro-10-hydroxy-1a,5-dimethyl-9-methylene-, (1aR,5R,6R,6aS,9aR,10R,10aR)-
    • Oxireno(4,5)cyclodeca(1,2-b)furan-8(1aH)-one, 6-(acetyloxy)decahydro-10-hydroxy-1a,5-dimethyl-9-methylene-, (1aR,5R,6R,6aS,9aR,10R,10aR)-
    • RefChem:367450
    • Blumealactone C
    • (-)-Blumealactone C
    • SCHEMBL29935130
    • CHEBI:175142
    • DTXSID101101488
    • (2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-10-yl) acetate
    • 111545-48-3

  • Applications

    Chemical name: Oxireno(4,5)cyclodeca(1,2-b)furan-8(1aH)-one, 6-(acetyloxy)decahydro-10-hydroxy-1a,5-dimethyl-9-methylene-, (1aR,5R,6R,6aS,9aR,10R,10aR)-; CAS number: 111545-48-3. This complex lactone framework primarily functions as an advanced intermediate and chiral building block for pharmaceutical and fine-chemical syntheses, enabling asymmetric transformations to access active pharmaceutical ingredients and natural-product–like derivatives. It is also evaluated as a precursor or scaffold for fragrance or cosmetic ingredients due to its lactone motif, and may serve as a specialty monomer fragment for polymers/plastics in materials science research. In process development, it supports scale-up studies as a targeted synthetic intermediate; its use is subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.59
    methanol 178.22
    isopropanol 79.62
    water 0.39
    ethyl acetate 94.0
    n-propanol 87.07
    acetone 159.11
    n-butanol 77.87
    acetonitrile 78.56
    DMF 231.97
    toluene 31.58
    isobutanol 58.09
    1,4-dioxane 185.3
    methyl acetate 111.23
    THF 341.73
    2-butanone 160.67
    n-pentanol 60.47
    sec-butanol 60.45
    n-hexane 0.45
    ethylene glycol 29.95
    NMP 196.59
    cyclohexane 1.87
    DMSO 310.99
    n-butyl acetate 66.12
    n-octanol 17.97
    chloroform 221.61
    n-propyl acetate 77.8
    acetic acid 246.92
    dichloromethane 174.23
    cyclohexanone 193.24
    propylene glycol 29.8
    isopropyl acetate 75.57
    DMAc 256.54
    2-ethoxyethanol 160.83
    isopentanol 67.91
    n-heptane 0.43
    ethyl formate 83.29
    1,2-dichloroethane 99.31
    n-hexanol 47.08
    2-methoxyethanol 232.39
    isobutyl acetate 59.43
    tetrachloromethane 14.36
    n-pentyl acetate 44.25
    transcutol 219.99
    n-heptanol 24.25
    ethylbenzene 16.74
    MIBK 67.23
    2-propoxyethanol 148.98
    tert-butanol 66.13
    MTBE 33.24
    2-butoxyethanol 83.78
    propionic acid 87.91
    o-xylene 18.8
    formic acid 144.14
    diethyl ether 39.62
    m-xylene 18.17
    p-xylene 24.97
    chlorobenzene 52.03
    dimethyl carbonate 56.4
    n-octane 0.31
    formamide 181.28
    cyclopentanone 229.36
    2-pentanone 102.76
    anisole 54.84
    cyclopentyl methyl ether 66.14
    gamma-butyrolactone 238.91
    1-methoxy-2-propanol 148.66
    pyridine 160.87
    3-pentanone 66.16
    furfural 207.81
    n-dodecane 0.49
    diethylene glycol 139.81
    diisopropyl ether 9.62
    tert-amyl alcohol 49.8
    acetylacetone 130.11
    n-hexadecane 0.6
    acetophenone 81.47
    methyl propionate 74.35
    isopentyl acetate 67.2
    trichloroethylene 228.17
    n-nonanol 19.59
    cyclohexanol 57.6
    benzyl alcohol 83.66
    2-ethylhexanol 22.63
    isooctanol 21.33
    dipropyl ether 14.12
    1,2-dichlorobenzene 45.92
    ethyl lactate 54.13
    propylene carbonate 121.96
    n-methylformamide 136.97
    2-pentanol 35.07
    n-pentane 0.5
    1-propoxy-2-propanol 74.86
    1-methoxy-2-propyl acetate 88.54
    2-(2-methoxypropoxy) propanol 77.76
    mesitylene 9.18
    ε-caprolactone 164.61
    p-cymene 10.82
    epichlorohydrin 282.06
    1,1,1-trichloroethane 62.22
    2-aminoethanol 56.67
    morpholine-4-carbaldehyde 229.14
    sulfolane 216.13
    2,2,4-trimethylpentane 0.74
    2-methyltetrahydrofuran 142.43
    n-hexyl acetate 52.18
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 98.67
    sec-butyl acetate 54.82
    tert-butyl acetate 61.96
    decalin 1.6
    glycerin 67.92
    diglyme 171.0
    acrylic acid 91.62
    isopropyl myristate 20.1
    n-butyric acid 125.46
    acetyl acetate 79.29
    di(2-ethylhexyl) phthalate 33.54
    ethyl propionate 54.21
    nitromethane 256.58
    1,2-diethoxyethane 54.2
    benzonitrile 81.61
    trioctyl phosphate 21.54
    1-bromopropane 34.61
    gamma-valerolactone 325.73
    n-decanol 13.59
    triethyl phosphate 29.36
    4-methyl-2-pentanol 27.32
    propionitrile 67.32
    vinylene carbonate 129.13
    1,1,2-trichlorotrifluoroethane 189.24
    DMS 58.1
    cumene 11.35
    2-octanol 13.67
    2-hexanone 79.65
    octyl acetate 28.16
    limonene 12.35
    1,2-dimethoxyethane 199.64
    ethyl orthosilicate 26.94
    tributyl phosphate 24.44
    diacetone alcohol 91.17
    N,N-dimethylaniline 35.24
    acrylonitrile 93.33
    aniline 60.9
    1,3-propanediol 101.02
    bromobenzene 45.0
    dibromomethane 93.19
    1,1,2,2-tetrachloroethane 156.29
    2-methyl-cyclohexyl acetate 48.45
    tetrabutyl urea 36.1
    diisobutyl methanol 12.21
    2-phenylethanol 72.5
    styrene 20.3
    dioctyl adipate 37.35
    dimethyl sulfate 89.79
    ethyl butyrate 44.79
    methyl lactate 65.05
    butyl lactate 47.6
    diethyl carbonate 36.61
    propanediol butyl ether 69.05
    triethyl orthoformate 34.38
    p-tert-butyltoluene 9.27
    methyl 4-tert-butylbenzoate 54.67
    morpholine 208.28
    tert-butylamine 19.67
    n-dodecanol 9.51
    dimethoxymethane 149.17
    ethylene carbonate 109.62
    cyrene 108.79
    2-ethoxyethyl acetate 79.74
    2-ethylhexyl acetate 49.89
    1,2,4-trichlorobenzene 65.77
    4-methylpyridine 136.1
    dibutyl ether 13.3
    2,6-dimethyl-4-heptanol 12.21
    DEF 92.53
    dimethyl isosorbide 114.9
    tetrachloroethylene 91.49
    eugenol 66.43
    triacetin 63.24
    span 80 54.75
    1,4-butanediol 50.48
    1,1-dichloroethane 81.79
    2-methyl-1-pentanol 58.64
    methyl formate 110.84
    2-methyl-1-butanol 59.05
    n-decane 0.78
    butyronitrile 68.29
    3,7-dimethyl-1-octanol 21.78
    1-chlorooctane 6.44
    1-chlorotetradecane 2.73
    n-nonane 0.53
    undecane 0.6
    tert-butylcyclohexane 1.08
    cyclooctane 0.59
    cyclopentanol 74.31
    tetrahydropyran 129.21
    tert-amyl methyl ether 26.75
    2,5,8-trioxanonane 114.49
    1-hexene 4.32
    2-isopropoxyethanol 106.83
    2,2,2-trifluoroethanol 79.43
    methyl butyrate 82.18

    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