Kanokoside C

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  • Identifiers

    CAS number
    64703-87-3

    Molecular formula
    C27H42O17

    SMILES
    CC(C)CC(=O)O[C@H]1[C@H]2[C@H]([C@H]3[C@@H]([C@]2(CO)O)O3)C(=CO1)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.57%
    Sweet 26.78%
    Cooling 22.8%
    Alcoholic 19.9%
    Milky 19.37%
    Savory 18.56%
    Mint 15.87%
    Bitter 14.61%
    Vanilla 14.59%
    Malty 14.42%

     

    Flavor
    Bitter 62.97%
    Odorless 37.93%
    Fatty 31.91%
    Sweet-like 30.64%
    Bland 28.71%
    Sweet 28.66%
    Cedarleaf 20.42%
    Cauliflower 20.38%
    Very mild 20.18%
    Alkaline 20.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -4.9

    pKa est.
    4.65 (weak acid)

    Molecular weight
    638.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5229°C

    Flash point

    • 209.32 ˚C est.

  • Synonyms

    • Kanokoside C
    • CHEBI:81083
    • DTXSID601098472
    • 64703-87-3
    • C17430
    • Q27155041
    • I(2)-D-Glucopyranoside, [(1aS,1bS,5S,5aS,6S,6aS)-1a,1b,5,5a,6,6a-hexahydro-6-hydroxy-6-(hydroxymethyl)-5-(3-methyl-1-oxobutoxy)oxireno[3,4]cyclopenta[1,2-c]pyran-2-yl]methyl 6-O-I(2)-D-glucopyranosyl-
    • 64703-87-3

  • Applications

    Kanokoside C, CAS 64703-87-3, is typically regarded as a specialty chemical with applications driven by its role as an intermediate or building block in chemical synthesis; in industrial manufacturing it can serve as a precursor for refined natural product derivatives; in pharmaceutical research it is evaluated as a synthetic intermediate for drug-discovery workflows; in cosmetics and personal care it is considered as a potential ingredient or fragrance-related component within formulation controls; in coatings, inks, and polymers it is investigated as a specialty additive or functional modifier.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.79
    methanol 15.6
    isopropanol 0.49
    water 0.18
    ethyl acetate 0.84
    n-propanol 1.32
    acetone 2.02
    n-butanol 0.95
    acetonitrile 0.78
    DMF 16.4
    toluene 0.18
    isobutanol 0.48
    1,4-dioxane 4.16
    methyl acetate 1.24
    THF 6.27
    2-butanone 1.91
    n-pentanol 0.55
    sec-butanol 0.49
    n-hexane 0.01
    ethylene glycol 4.15
    NMP 21.66
    cyclohexane 0.02
    DMSO 26.88
    n-butyl acetate 0.36
    n-octanol 0.63
    chloroform 0.99
    n-propyl acetate 0.4
    acetic acid 11.24
    dichloromethane 1.25
    cyclohexanone 3.25
    propylene glycol 3.7
    isopropyl acetate 0.41
    DMAc 17.11
    2-ethoxyethanol 6.07
    isopentanol 0.48
    n-heptane 0.02
    ethyl formate 1.7
    1,2-dichloroethane 0.67
    n-hexanol 0.32
    2-methoxyethanol 16.37
    isobutyl acetate 0.19
    tetrachloromethane 0.11
    n-pentyl acetate 0.95
    transcutol 12.52
    n-heptanol 0.66
    ethylbenzene 0.07
    MIBK 0.56
    2-propoxyethanol 4.55
    tert-butanol 0.31
    MTBE 0.25
    2-butoxyethanol 4.19
    propionic acid 2.29
    o-xylene 0.13
    formic acid 26.85
    diethyl ether 0.49
    m-xylene 0.1
    p-xylene 0.07
    chlorobenzene 0.2
    dimethyl carbonate 1.98
    n-octane 0.02
    formamide 18.27
    cyclopentanone 5.38
    2-pentanone 1.28
    anisole 0.43
    cyclopentyl methyl ether 0.97
    gamma-butyrolactone 6.3
    1-methoxy-2-propanol 6.21
    pyridine 2.35
    3-pentanone 0.98
    furfural 9.44
    n-dodecane 0.01
    diethylene glycol 7.16
    diisopropyl ether 0.06
    tert-amyl alcohol 0.41
    acetylacetone 2.45
    n-hexadecane 0.02
    acetophenone 0.78
    methyl propionate 1.53
    isopentyl acetate 0.32
    trichloroethylene 1.72
    n-nonanol 0.64
    cyclohexanol 0.51
    benzyl alcohol 0.93
    2-ethylhexanol 0.17
    isooctanol 0.41
    dipropyl ether 0.3
    1,2-dichlorobenzene 0.2
    ethyl lactate 1.11
    propylene carbonate 1.99
    n-methylformamide 9.25
    2-pentanol 0.3
    n-pentane 0.01
    1-propoxy-2-propanol 2.12
    1-methoxy-2-propyl acetate 1.45
    2-(2-methoxypropoxy) propanol 3.4
    mesitylene 0.05
    ε-caprolactone 3.3
    p-cymene 0.07
    epichlorohydrin 5.91
    1,1,1-trichloroethane 0.2
    2-aminoethanol 4.86
    morpholine-4-carbaldehyde 20.4
    sulfolane 16.42
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.52
    n-hexyl acetate 0.99
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.63
    sec-butyl acetate 0.22
    tert-butyl acetate 0.42
    decalin 0.01
    glycerin 13.01
    diglyme 9.43
    acrylic acid 4.57
    isopropyl myristate 0.27
    n-butyric acid 2.14
    acetyl acetate 0.79
    di(2-ethylhexyl) phthalate 0.7
    ethyl propionate 0.41
    nitromethane 13.93
    1,2-diethoxyethane 1.44
    benzonitrile 0.52
    trioctyl phosphate 0.47
    1-bromopropane 0.19
    gamma-valerolactone 21.38
    n-decanol 0.38
    triethyl phosphate 0.35
    4-methyl-2-pentanol 0.16
    propionitrile 0.54
    vinylene carbonate 2.55
    1,1,2-trichlorotrifluoroethane 12.59
    DMS 0.92
    cumene 0.05
    2-octanol 0.32
    2-hexanone 0.57
    octyl acetate 0.58
    limonene 0.13
    1,2-dimethoxyethane 5.27
    ethyl orthosilicate 0.31
    tributyl phosphate 0.38
    diacetone alcohol 1.94
    N,N-dimethylaniline 0.33
    acrylonitrile 1.32
    aniline 0.54
    1,3-propanediol 5.05
    bromobenzene 0.15
    dibromomethane 0.46
    1,1,2,2-tetrachloroethane 1.25
    2-methyl-cyclohexyl acetate 0.39
    tetrabutyl urea 0.78
    diisobutyl methanol 0.1
    2-phenylethanol 0.64
    styrene 0.08
    dioctyl adipate 0.72
    dimethyl sulfate 4.91
    ethyl butyrate 0.39
    methyl lactate 4.39
    butyl lactate 1.61
    diethyl carbonate 0.25
    propanediol butyl ether 5.61
    triethyl orthoformate 0.46
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 1.67
    morpholine 5.58
    tert-butylamine 0.09
    n-dodecanol 0.23
    dimethoxymethane 7.09
    ethylene carbonate 1.53
    cyrene 6.84
    2-ethoxyethyl acetate 2.59
    2-ethylhexyl acetate 0.23
    1,2,4-trichlorobenzene 0.33
    4-methylpyridine 1.14
    dibutyl ether 0.3
    2,6-dimethyl-4-heptanol 0.1
    DEF 2.73
    dimethyl isosorbide 4.82
    tetrachloroethylene 0.92
    eugenol 2.21
    triacetin 2.29
    span 80 3.44
    1,4-butanediol 1.83
    1,1-dichloroethane 0.25
    2-methyl-1-pentanol 0.37
    methyl formate 7.34
    2-methyl-1-butanol 0.55
    n-decane 0.03
    butyronitrile 0.47
    3,7-dimethyl-1-octanol 0.31
    1-chlorooctane 0.14
    1-chlorotetradecane 0.05
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.88
    tetrahydropyran 1.19
    tert-amyl methyl ether 0.34
    2,5,8-trioxanonane 6.86
    1-hexene 0.03
    2-isopropoxyethanol 2.2
    2,2,2-trifluoroethanol 4.98
    methyl butyrate 0.67

    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