9,12-Methano-6H,8H,14H-pyrano[3,4-c][1,7]dioxacyclododecin-6,14-dione, 4-ethylidene-3-(I(2)-D-glucopyranosyloxy)-3,4,9,10,11,12-hexahydro-10-(2-hydroxy-1-methylethyl)-15-methyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    85562-86-3

    Molecular formula
    C26H36O12

    SMILES
    CC=C\1C(OC=C2/C1=C\C(=O)OCC3C(C(CC3C(C)CO)OC2=O)C)OC4C(C(C(C(O4)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.02%
    Sweet 28.5%
    Spicy 27.63%
    Milky 21.07%
    Vanilla 20.44%
    Lactonic 20.33%
    Mint 19.85%
    Caramellic 19.55%
    Roasted 18.04%
    Cooling 17.09%

     

    Flavor
    Bitter 82.44%
    Sweet-like 22.44%
    Cedarleaf 20.88%
    Bland 20.79%
    Fatty 19.93%
    Odorless 19.92%
    Lovage 19.71%
    Leaves 19.51%
    Parsley 19.17%
    Fenugreek 18.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    5.26 (weak acid)

    Molecular weight
    540.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    4521°C

    Flash point

    • 250.48 ˚C est.

  • Synonyms

    • DTXSID001099008
    • 85562-86-3
    • 9,12-Methano-6H,8H,14H-pyrano[3,4-c][1,7]dioxacyclododecin-6,14-dione, 4-ethylidene-3-(I(2)-D-glucopyranosyloxy)-3,4,9,10,11,12-hexahydro-10-(2-hydroxy-1-methylethyl)-15-methyl-
    • 85562-86-3

  • Applications

    CAS 85562-86-3, 9,12-Methano-6H,8H,14H-pyrano[3,4-c][1,7]dioxacyclododecin-6,14-dione, 4-ethylidene-3-(I(2)-D-glucopyranosyloxy)-3,4,9,10,11,12-hexahydro-10-(2-hydroxy-1-methylethyl)-15-methyl-, is a glycosylated polycyclic lactone derivative. In practical applications, it may be used as an intermediate or building block in pharmaceutical synthesis to access complex natural product analogs; it may be evaluated for fragrance and cosmetics applications as an odorant precursor or fragrance glycoside; it may serve as a scaffold for developing novel agrochemical derivatives; in chiral chemistry research, it is considered as a building block for enantioselective synthesis; and in materials chemistry, it can be explored as a rigid molecular framework for specialty polymers or functional organic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.29
    methanol 64.36
    isopropanol 3.24
    water 3.07
    ethyl acetate 11.44
    n-propanol 6.65
    acetone 14.93
    n-butanol 4.63
    acetonitrile 5.8
    DMF 97.64
    toluene 2.3
    isobutanol 2.8
    1,4-dioxane 19.71
    methyl acetate 13.4
    THF 31.85
    2-butanone 13.24
    n-pentanol 2.71
    sec-butanol 3.13
    n-hexane 0.08
    ethylene glycol 24.35
    NMP 187.19
    cyclohexane 0.27
    DMSO 105.95
    n-butyl acetate 2.54
    n-octanol 1.93
    chloroform 11.65
    n-propyl acetate 3.55
    acetic acid 156.08
    dichloromethane 13.3
    cyclohexanone 23.84
    propylene glycol 20.09
    isopropyl acetate 5.24
    DMAc 124.51
    2-ethoxyethanol 24.22
    isopentanol 2.63
    n-heptane 0.14
    ethyl formate 11.3
    1,2-dichloroethane 7.63
    n-hexanol 1.73
    2-methoxyethanol 70.75
    isobutyl acetate 1.59
    tetrachloromethane 1.78
    n-pentyl acetate 4.37
    transcutol 42.01
    n-heptanol 2.35
    ethylbenzene 0.66
    MIBK 3.77
    2-propoxyethanol 19.25
    tert-butanol 2.34
    MTBE 1.53
    2-butoxyethanol 13.08
    propionic acid 27.35
    o-xylene 1.61
    formic acid 223.07
    diethyl ether 3.08
    m-xylene 1.43
    p-xylene 0.8
    chlorobenzene 2.41
    dimethyl carbonate 24.73
    n-octane 0.1
    formamide 137.88
    cyclopentanone 41.04
    2-pentanone 9.68
    anisole 2.65
    cyclopentyl methyl ether 8.18
    gamma-butyrolactone 67.25
    1-methoxy-2-propanol 33.91
    pyridine 15.13
    3-pentanone 9.45
    furfural 50.98
    n-dodecane 0.07
    diethylene glycol 36.07
    diisopropyl ether 0.6
    tert-amyl alcohol 2.42
    acetylacetone 23.46
    n-hexadecane 0.08
    acetophenone 5.95
    methyl propionate 19.4
    isopentyl acetate 2.14
    trichloroethylene 21.96
    n-nonanol 2.01
    cyclohexanol 4.27
    benzyl alcohol 5.85
    2-ethylhexanol 0.91
    isooctanol 1.55
    dipropyl ether 1.53
    1,2-dichlorobenzene 2.56
    ethyl lactate 8.22
    propylene carbonate 23.34
    n-methylformamide 62.75
    2-pentanol 2.14
    n-pentane 0.13
    1-propoxy-2-propanol 9.23
    1-methoxy-2-propyl acetate 9.07
    2-(2-methoxypropoxy) propanol 11.42
    mesitylene 0.78
    ε-caprolactone 26.45
    p-cymene 0.58
    epichlorohydrin 37.95
    1,1,1-trichloroethane 3.8
    2-aminoethanol 23.55
    morpholine-4-carbaldehyde 105.68
    sulfolane 126.85
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 10.34
    n-hexyl acetate 4.5
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 16.4
    sec-butyl acetate 2.08
    tert-butyl acetate 4.16
    decalin 0.1
    glycerin 71.24
    diglyme 28.88
    acrylic acid 52.53
    isopropyl myristate 1.2
    n-butyric acid 22.38
    acetyl acetate 13.0
    di(2-ethylhexyl) phthalate 2.94
    ethyl propionate 4.26
    nitromethane 127.45
    1,2-diethoxyethane 5.14
    benzonitrile 3.45
    trioctyl phosphate 2.2
    1-bromopropane 1.98
    gamma-valerolactone 97.0
    n-decanol 1.3
    triethyl phosphate 2.56
    4-methyl-2-pentanol 1.1
    propionitrile 3.84
    vinylene carbonate 26.35
    1,1,2-trichlorotrifluoroethane 79.34
    DMS 8.32
    cumene 0.41
    2-octanol 1.2
    2-hexanone 3.56
    octyl acetate 2.5
    limonene 0.87
    1,2-dimethoxyethane 19.01
    ethyl orthosilicate 2.15
    tributyl phosphate 2.05
    diacetone alcohol 13.51
    N,N-dimethylaniline 2.29
    acrylonitrile 9.27
    aniline 5.79
    1,3-propanediol 26.78
    bromobenzene 1.93
    dibromomethane 5.47
    1,1,2,2-tetrachloroethane 14.42
    2-methyl-cyclohexyl acetate 2.82
    tetrabutyl urea 3.49
    diisobutyl methanol 0.61
    2-phenylethanol 3.96
    styrene 0.83
    dioctyl adipate 3.24
    dimethyl sulfate 52.87
    ethyl butyrate 2.66
    methyl lactate 37.69
    butyl lactate 6.97
    diethyl carbonate 1.95
    propanediol butyl ether 16.39
    triethyl orthoformate 2.74
    p-tert-butyltoluene 0.55
    methyl 4-tert-butylbenzoate 7.88
    morpholine 24.96
    tert-butylamine 0.65
    n-dodecanol 0.82
    dimethoxymethane 46.17
    ethylene carbonate 17.71
    cyrene 27.38
    2-ethoxyethyl acetate 10.87
    2-ethylhexyl acetate 1.64
    1,2,4-trichlorobenzene 4.32
    4-methylpyridine 9.18
    dibutyl ether 1.01
    2,6-dimethyl-4-heptanol 0.61
    DEF 20.6
    dimethyl isosorbide 17.75
    tetrachloroethylene 11.8
    eugenol 8.66
    triacetin 11.72
    span 80 11.24
    1,4-butanediol 9.6
    1,1-dichloroethane 3.91
    2-methyl-1-pentanol 1.86
    methyl formate 54.13
    2-methyl-1-butanol 2.87
    n-decane 0.14
    butyronitrile 2.53
    3,7-dimethyl-1-octanol 1.19
    1-chlorooctane 0.59
    1-chlorotetradecane 0.21
    n-nonane 0.12
    undecane 0.1
    tert-butylcyclohexane 0.06
    cyclooctane 0.14
    cyclopentanol 7.58
    tetrahydropyran 7.35
    tert-amyl methyl ether 2.09
    2,5,8-trioxanonane 20.65
    1-hexene 0.27
    2-isopropoxyethanol 9.61
    2,2,2-trifluoroethanol 65.54
    methyl butyrate 5.75

    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