Kanokoside A

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  • Identifiers

    CAS number
    64703-85-1

    Molecular formula
    C21H32O12

    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)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.28%
    Cooling 24.84%
    Sweet 22.09%
    Milky 20.09%
    Savory 18.58%
    Mint 18.53%
    Alcoholic 17.25%
    Buttery 15.24%
    Malty 14.37%
    Bitter 14.25%

     

    Flavor
    Bitter 70.02%
    Odorless 33.81%
    Fatty 30.37%
    Bland 29.4%
    Sweet-like 28.94%
    Cedarleaf 20.85%
    Cauliflower 19.86%
    Very mild 19.72%
    Alkaline 19.59%
    Very slight 19.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.7

    pKa est.
    5.51 (weak acid)

    Molecular weight
    476.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2803°C

    Flash point

    • 209.89 ˚C est.

  • Synonyms

    • Kanokoside A
    • [(1S,2S,4S,5S,6S,7S)-5-hydroxy-5-(hydroxymethyl)-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,8-dioxatricyclo[4.4.0.02,4]dec-9-en-7-yl] 3-methylbutanoate
    • ((1S,2S,4S,5S,6S,7S)-5-hydroxy-5-(hydroxymethyl)-10-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)-3,8-dioxatricyclo(4.4.0.02,4)dec-9-en-7-yl) 3-methylbutanoate
    • RefChem:1087971
    • 64703-85-1
    • beta-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
    • CHEBI:81081
    • DTXSID201099216
    • C17428
    • Q27155038
    • [(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 I(2)-D-glucopyranoside
    • 64703-85-1

  • Applications

    Kanokoside A (CAS 64703-85-1) is a natural product that is primarily studied as an intermediate in chemical synthesis and as a potential component in various formulations; potential real-world applications include serving as an aroma/odorant constituent in fragrance and personal care products, acting as a functional additive or specialty precursor in coatings, paints, and inks, and being explored as a synthetic building block in pharmaceutical development, with potential roles in polymer/plastic formulations as a functional aromatic moiety, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.91
    methanol 48.7
    isopropanol 1.7
    water 0.69
    ethyl acetate 2.38
    n-propanol 4.14
    acetone 8.42
    n-butanol 3.26
    acetonitrile 3.32
    DMF 48.79
    toluene 0.34
    isobutanol 1.61
    1,4-dioxane 10.0
    methyl acetate 3.33
    THF 16.13
    2-butanone 5.99
    n-pentanol 1.89
    sec-butanol 1.55
    n-hexane 0.02
    ethylene glycol 12.11
    NMP 50.87
    cyclohexane 0.06
    DMSO 106.68
    n-butyl acetate 0.92
    n-octanol 1.65
    chloroform 2.46
    n-propyl acetate 1.09
    acetic acid 43.21
    dichloromethane 2.91
    cyclohexanone 10.96
    propylene glycol 10.33
    isopropyl acetate 1.24
    DMAc 52.42
    2-ethoxyethanol 21.56
    isopentanol 1.76
    n-heptane 0.05
    ethyl formate 4.89
    1,2-dichloroethane 1.92
    n-hexanol 1.08
    2-methoxyethanol 53.7
    isobutyl acetate 0.63
    tetrachloromethane 0.27
    n-pentyl acetate 1.97
    transcutol 35.58
    n-heptanol 1.79
    ethylbenzene 0.15
    MIBK 1.99
    2-propoxyethanol 14.52
    tert-butanol 1.29
    MTBE 0.73
    2-butoxyethanol 10.98
    propionic acid 6.57
    o-xylene 0.27
    formic acid 89.2
    diethyl ether 1.28
    m-xylene 0.22
    p-xylene 0.19
    chlorobenzene 0.45
    dimethyl carbonate 4.65
    n-octane 0.03
    formamide 67.14
    cyclopentanone 16.5
    2-pentanone 4.19
    anisole 1.05
    cyclopentyl methyl ether 2.3
    gamma-butyrolactone 17.29
    1-methoxy-2-propanol 19.99
    pyridine 5.16
    3-pentanone 2.87
    furfural 20.44
    n-dodecane 0.04
    diethylene glycol 24.1
    diisopropyl ether 0.19
    tert-amyl alcohol 1.42
    acetylacetone 8.57
    n-hexadecane 0.04
    acetophenone 2.18
    methyl propionate 4.03
    isopentyl acetate 0.97
    trichloroethylene 4.6
    n-nonanol 1.7
    cyclohexanol 1.58
    benzyl alcohol 2.6
    2-ethylhexanol 0.58
    isooctanol 1.17
    dipropyl ether 0.73
    1,2-dichlorobenzene 0.49
    ethyl lactate 3.46
    propylene carbonate 5.08
    n-methylformamide 27.04
    2-pentanol 0.94
    n-pentane 0.03
    1-propoxy-2-propanol 6.1
    1-methoxy-2-propyl acetate 3.85
    2-(2-methoxypropoxy) propanol 9.15
    mesitylene 0.14
    ε-caprolactone 9.2
    p-cymene 0.19
    epichlorohydrin 16.35
    1,1,1-trichloroethane 0.6
    2-aminoethanol 16.2
    morpholine-4-carbaldehyde 46.29
    sulfolane 44.81
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.76
    n-hexyl acetate 2.45
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 14.67
    sec-butyl acetate 0.66
    tert-butyl acetate 1.4
    decalin 0.03
    glycerin 36.01
    diglyme 24.13
    acrylic acid 12.78
    isopropyl myristate 0.75
    n-butyric acid 7.14
    acetyl acetate 2.51
    di(2-ethylhexyl) phthalate 1.87
    ethyl propionate 1.17
    nitromethane 51.15
    1,2-diethoxyethane 3.45
    benzonitrile 1.52
    trioctyl phosphate 1.29
    1-bromopropane 0.46
    gamma-valerolactone 55.12
    n-decanol 1.06
    triethyl phosphate 1.02
    4-methyl-2-pentanol 0.56
    propionitrile 1.77
    vinylene carbonate 6.31
    1,1,2-trichlorotrifluoroethane 29.57
    DMS 2.23
    cumene 0.12
    2-octanol 0.84
    2-hexanone 1.8
    octyl acetate 1.49
    limonene 0.35
    1,2-dimethoxyethane 16.2
    ethyl orthosilicate 0.91
    tributyl phosphate 1.2
    diacetone alcohol 6.76
    N,N-dimethylaniline 0.83
    acrylonitrile 4.17
    aniline 1.29
    1,3-propanediol 18.06
    bromobenzene 0.29
    dibromomethane 1.12
    1,1,2,2-tetrachloroethane 3.24
    2-methyl-cyclohexyl acetate 1.31
    tetrabutyl urea 2.2
    diisobutyl methanol 0.35
    2-phenylethanol 1.95
    styrene 0.18
    dioctyl adipate 1.93
    dimethyl sulfate 11.17
    ethyl butyrate 1.09
    methyl lactate 11.24
    butyl lactate 3.8
    diethyl carbonate 0.73
    propanediol butyl ether 13.2
    triethyl orthoformate 1.24
    p-tert-butyltoluene 0.18
    methyl 4-tert-butylbenzoate 4.1
    morpholine 14.48
    tert-butylamine 0.33
    n-dodecanol 0.66
    dimethoxymethane 20.2
    ethylene carbonate 4.24
    cyrene 17.37
    2-ethoxyethyl acetate 5.11
    2-ethylhexyl acetate 0.67
    1,2,4-trichlorobenzene 0.85
    4-methylpyridine 2.64
    dibutyl ether 0.73
    2,6-dimethyl-4-heptanol 0.35
    DEF 7.63
    dimethyl isosorbide 12.6
    tetrachloroethylene 2.3
    eugenol 5.77
    triacetin 5.2
    span 80 7.81
    1,4-butanediol 6.35
    1,1-dichloroethane 0.7
    2-methyl-1-pentanol 1.32
    methyl formate 20.05
    2-methyl-1-butanol 1.78
    n-decane 0.07
    butyronitrile 1.61
    3,7-dimethyl-1-octanol 0.94
    1-chlorooctane 0.34
    1-chlorotetradecane 0.13
    n-nonane 0.05
    undecane 0.05
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 2.7
    tetrahydropyran 3.12
    tert-amyl methyl ether 0.9
    2,5,8-trioxanonane 17.85
    1-hexene 0.09
    2-isopropoxyethanol 7.83
    2,2,2-trifluoroethanol 15.7
    methyl butyrate 1.91

    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