NCGC00386033-01_C24H38O12_3-Buten-2-one, 4-[4-hydroxy-2,2,6-trimethyl-6-[[6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]cyclohexylidene]-

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  • Identifiers

    CAS number
    108567-70-0

    Molecular formula
    C24H38O12

    SMILES
    CC(=O)C=C=C1C(CC(CC1(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@@H]([C@](CO3)(CO)O)O)O)O)O)O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.98%
    Sweet 48.69%
    Woody 26.08%
    Vanilla 24.07%
    Creamy 22.37%
    Mint 21.85%
    Milky 21.62%
    Cooling 20.19%
    Caramellic 18.86%
    Warm 18.16%

     

    Flavor
    Bitter 74.18%
    Odorless 30.45%
    Sweet-like 26.47%
    Bland 24.64%
    Fatty 22.33%
    Sweet 22.07%
    Cedarleaf 20.63%
    Naphthalic 19.72%
    Very slight 19.7%
    Cotton candy 19.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.4

    pKa est.
    4.12 (weak acid)

    Molecular weight
    518.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3580°C

    Flash point

    • 239.96 ˚C est.

  • Synonyms

    • 108567-70-0
    • NCGC00386033-01_C24H38O12_3-Buten-2-one, 4-[4-hydroxy-2,2,6-trimethyl-6-[[6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]cyclohexylidene]-
    • orb1990524
    • AKOS040736360
    • NCGC00386033-01
    • 108567-70-0

  • Applications

    NCGC00386033-01_C24H38O12_3-Buten-2-one, 4-[4-hydroxy-2,2,6-trimethyl-6-[[6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]cyclohexylidene]- (CAS number 108567-70-0) is a glycosylated enone that is typically used as an intermediate or building block in chemical synthesis. In practice it may be evaluated for use as a fragrance component or odorant precursor in perfumery; as a glycosylated ingredient or scaffold in cosmetics/personal care to aid formulation and solubility; as an intermediate in pharmaceutical development for further functionalization; and as a synthetic intermediate in industrial manufacturing to access glycosylated cyclohexylidene derivatives. Handling is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.42
    methanol 71.82
    isopropanol 0.77
    water 7.14
    ethyl acetate 0.92
    n-propanol 2.56
    acetone 2.55
    n-butanol 1.12
    acetonitrile 1.29
    DMF 62.29
    toluene 0.35
    isobutanol 0.76
    1,4-dioxane 4.46
    methyl acetate 1.38
    THF 6.75
    2-butanone 1.74
    n-pentanol 0.84
    sec-butanol 0.67
    n-hexane 0.02
    ethylene glycol 19.91
    NMP 86.49
    cyclohexane 0.04
    DMSO 85.99
    n-butyl acetate 0.43
    n-octanol 0.74
    chloroform 1.34
    n-propyl acetate 0.57
    acetic acid 43.26
    dichloromethane 2.29
    cyclohexanone 3.3
    propylene glycol 12.72
    isopropyl acetate 0.47
    DMAc 42.47
    2-ethoxyethanol 13.46
    isopentanol 0.51
    n-heptane 0.05
    ethyl formate 2.0
    1,2-dichloroethane 1.08
    n-hexanol 0.63
    2-methoxyethanol 39.19
    isobutyl acetate 0.31
    tetrachloromethane 0.17
    n-pentyl acetate 0.88
    transcutol 22.59
    n-heptanol 0.94
    ethylbenzene 0.16
    MIBK 0.62
    2-propoxyethanol 11.31
    tert-butanol 0.37
    MTBE 0.24
    2-butoxyethanol 7.96
    propionic acid 4.97
    o-xylene 0.27
    formic acid 226.19
    diethyl ether 0.56
    m-xylene 0.26
    p-xylene 0.16
    chlorobenzene 0.3
    dimethyl carbonate 4.4
    n-octane 0.03
    formamide 119.27
    cyclopentanone 6.95
    2-pentanone 1.19
    anisole 0.78
    cyclopentyl methyl ether 1.79
    gamma-butyrolactone 12.49
    1-methoxy-2-propanol 14.29
    pyridine 3.59
    3-pentanone 1.13
    furfural 17.54
    n-dodecane 0.01
    diethylene glycol 23.87
    diisopropyl ether 0.09
    tert-amyl alcohol 0.49
    acetylacetone 3.08
    n-hexadecane 0.02
    acetophenone 1.67
    methyl propionate 2.6
    isopentyl acetate 0.38
    trichloroethylene 3.11
    n-nonanol 0.72
    cyclohexanol 0.77
    benzyl alcohol 1.79
    2-ethylhexanol 0.31
    isooctanol 0.56
    dipropyl ether 0.53
    1,2-dichlorobenzene 0.36
    ethyl lactate 2.28
    propylene carbonate 3.45
    n-methylformamide 36.87
    2-pentanol 0.36
    n-pentane 0.03
    1-propoxy-2-propanol 4.18
    1-methoxy-2-propyl acetate 2.39
    2-(2-methoxypropoxy) propanol 5.77
    mesitylene 0.13
    ε-caprolactone 4.42
    p-cymene 0.15
    epichlorohydrin 8.91
    1,1,1-trichloroethane 0.24
    2-aminoethanol 20.22
    morpholine-4-carbaldehyde 52.4
    sulfolane 42.36
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.75
    n-hexyl acetate 1.06
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.63
    sec-butyl acetate 0.3
    tert-butyl acetate 0.59
    decalin 0.02
    glycerin 54.17
    diglyme 14.74
    acrylic acid 13.91
    isopropyl myristate 0.23
    n-butyric acid 2.97
    acetyl acetate 1.0
    di(2-ethylhexyl) phthalate 0.88
    ethyl propionate 0.69
    nitromethane 37.34
    1,2-diethoxyethane 1.45
    benzonitrile 0.77
    trioctyl phosphate 0.54
    1-bromopropane 0.27
    gamma-valerolactone 29.22
    n-decanol 0.4
    triethyl phosphate 0.6
    4-methyl-2-pentanol 0.19
    propionitrile 0.68
    vinylene carbonate 4.96
    1,1,2-trichlorotrifluoroethane 31.08
    DMS 1.45
    cumene 0.11
    2-octanol 0.36
    2-hexanone 0.66
    octyl acetate 0.54
    limonene 0.22
    1,2-dimethoxyethane 7.29
    ethyl orthosilicate 0.53
    tributyl phosphate 0.45
    diacetone alcohol 2.94
    N,N-dimethylaniline 0.86
    acrylonitrile 2.22
    aniline 1.01
    1,3-propanediol 10.5
    bromobenzene 0.22
    dibromomethane 0.84
    1,1,2,2-tetrachloroethane 1.78
    2-methyl-cyclohexyl acetate 0.66
    tetrabutyl urea 1.0
    diisobutyl methanol 0.14
    2-phenylethanol 1.3
    styrene 0.18
    dioctyl adipate 0.74
    dimethyl sulfate 14.51
    ethyl butyrate 0.55
    methyl lactate 10.44
    butyl lactate 2.33
    diethyl carbonate 0.35
    propanediol butyl ether 9.72
    triethyl orthoformate 0.69
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 3.04
    morpholine 8.09
    tert-butylamine 0.11
    n-dodecanol 0.22
    dimethoxymethane 17.68
    ethylene carbonate 2.5
    cyrene 16.55
    2-ethoxyethyl acetate 2.6
    2-ethylhexyl acetate 0.31
    1,2,4-trichlorobenzene 0.56
    4-methylpyridine 1.87
    dibutyl ether 0.27
    2,6-dimethyl-4-heptanol 0.14
    DEF 5.16
    dimethyl isosorbide 10.06
    tetrachloroethylene 1.63
    eugenol 4.57
    triacetin 3.14
    span 80 5.44
    1,4-butanediol 3.95
    1,1-dichloroethane 0.3
    2-methyl-1-pentanol 0.47
    methyl formate 22.05
    2-methyl-1-butanol 0.69
    n-decane 0.03
    butyronitrile 0.48
    3,7-dimethyl-1-octanol 0.37
    1-chlorooctane 0.16
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.03
    cyclopentanol 1.26
    tetrahydropyran 1.28
    tert-amyl methyl ether 0.43
    2,5,8-trioxanonane 9.73
    1-hexene 0.08
    2-isopropoxyethanol 4.19
    2,2,2-trifluoroethanol 15.61
    methyl butyrate 1.03

    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