Kelampayoside A

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  • Identifiers

    CAS number
    87562-76-3

    Molecular formula
    C20H30O13

    SMILES
    COC1=CC(=CC(=C1OC)OC)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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.87%
    Sweet 41.04%
    Vanilla 36.36%
    Milky 24.09%
    Alcoholic 22.9%
    Creamy 21.35%
    Caramellic 19.54%
    Cooling 18.2%
    Balsamic 17.96%
    Phenolic 17.5%

     

    Flavor
    Bitter 57.78%
    Odorless 36.5%
    Sweet 31.65%
    Bland 31.42%
    Sweet-like 31.07%
    Fatty 26.7%
    Cauliflower 21.09%
    Very mild 20.84%
    Very slight 20.84%
    Eugenol 20.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.1

    pKa est.
    6.55 (neutral)

    Molecular weight
    478.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3100°C

    Melting point expt.

    • 132 - 134 °C

    Flash point

    • 239.26 ˚C est.

  • Synonyms

    • Kelampayoside A
    • 87562-76-3
    • DTXSID101317142
    • RefChem:924114
    • DTXCID201746958
    • (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
    • CHEMBL1923077
    • CHEBI:68963
    • AKOS040761948
    • FS-9123
    • DA-74746
    • Q27137315
    • 3,4,5-Trimethoxyphenyl 6-O-D-apio--D-furanosyl--D-glucopyranoside
    • 3,4,5-trimethoxyphenyl-6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranoside
    • 3,4,5-trimethoxyphenol-1-O-[beta-D-apiofuranosyl-(1->6)]]-beta-D-glucopyranoside
    • 3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside
    • 3,4,5-Trimethoxyphenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-beta-D-glucopyranoside
    • 87562-76-3

  • Applications

    Kelampayoside A (CAS 87562-76-3) is a natural glycoside that may serve as an intermediate in organic synthesis and as a source for natural-product derivatives; in industry, it is typically evaluated for fragrance and cosmetics/personal care applications, explored as a lead scaffold in pharmaceutical research, and considered for agrochemical or plant-metabolite studies, with potential use as a specialty chemical in research and formulation workflows, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.76
    methanol 35.85
    isopropanol 3.32
    water 4.27
    ethyl acetate 1.52
    n-propanol 6.22
    acetone 5.93
    n-butanol 4.72
    acetonitrile 2.03
    DMF 62.28
    toluene 0.25
    isobutanol 2.18
    1,4-dioxane 8.97
    methyl acetate 2.36
    THF 14.77
    2-butanone 3.55
    n-pentanol 2.12
    sec-butanol 2.81
    n-hexane 0.03
    ethylene glycol 25.9
    NMP 54.87
    cyclohexane 0.11
    DMSO 216.06
    n-butyl acetate 0.51
    n-octanol 2.09
    chloroform 1.2
    n-propyl acetate 0.66
    acetic acid 40.03
    dichloromethane 1.75
    cyclohexanone 7.0
    propylene glycol 19.23
    isopropyl acetate 0.83
    DMAc 54.91
    2-ethoxyethanol 22.34
    isopentanol 2.17
    n-heptane 0.09
    ethyl formate 4.05
    1,2-dichloroethane 1.43
    n-hexanol 1.29
    2-methoxyethanol 58.45
    isobutyl acetate 0.3
    tetrachloromethane 0.25
    n-pentyl acetate 1.39
    transcutol 23.49
    n-heptanol 2.32
    ethylbenzene 0.12
    MIBK 1.22
    2-propoxyethanol 11.6
    tert-butanol 2.11
    MTBE 0.7
    2-butoxyethanol 9.59
    propionic acid 7.2
    o-xylene 0.28
    formic acid 105.93
    diethyl ether 1.19
    m-xylene 0.18
    p-xylene 0.15
    chlorobenzene 0.23
    dimethyl carbonate 4.81
    n-octane 0.07
    formamide 81.84
    cyclopentanone 11.18
    2-pentanone 2.67
    anisole 0.66
    cyclopentyl methyl ether 2.37
    gamma-butyrolactone 14.02
    1-methoxy-2-propanol 24.95
    pyridine 3.34
    3-pentanone 1.97
    furfural 15.55
    n-dodecane 0.06
    diethylene glycol 24.31
    diisopropyl ether 0.19
    tert-amyl alcohol 2.18
    acetylacetone 4.72
    n-hexadecane 0.07
    acetophenone 1.35
    methyl propionate 3.35
    isopentyl acetate 0.52
    trichloroethylene 2.38
    n-nonanol 2.05
    cyclohexanol 3.01
    benzyl alcohol 2.07
    2-ethylhexanol 0.64
    isooctanol 1.48
    dipropyl ether 0.78
    1,2-dichlorobenzene 0.26
    ethyl lactate 3.48
    propylene carbonate 4.46
    n-methylformamide 30.62
    2-pentanol 1.44
    n-pentane 0.06
    1-propoxy-2-propanol 5.55
    1-methoxy-2-propyl acetate 2.59
    2-(2-methoxypropoxy) propanol 7.93
    mesitylene 0.12
    ε-caprolactone 6.65
    p-cymene 0.19
    epichlorohydrin 10.81
    1,1,1-trichloroethane 0.38
    2-aminoethanol 24.33
    morpholine-4-carbaldehyde 45.48
    sulfolane 47.34
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 3.57
    n-hexyl acetate 1.81
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 11.5
    sec-butyl acetate 0.37
    tert-butyl acetate 1.01
    decalin 0.04
    glycerin 60.72
    diglyme 20.34
    acrylic acid 13.33
    isopropyl myristate 0.61
    n-butyric acid 6.69
    acetyl acetate 1.4
    di(2-ethylhexyl) phthalate 1.36
    ethyl propionate 0.85
    nitromethane 38.79
    1,2-diethoxyethane 2.49
    benzonitrile 0.94
    trioctyl phosphate 1.15
    1-bromopropane 0.43
    gamma-valerolactone 34.3
    n-decanol 1.33
    triethyl phosphate 0.94
    4-methyl-2-pentanol 0.67
    propionitrile 1.45
    vinylene carbonate 4.88
    1,1,2-trichlorotrifluoroethane 30.37
    DMS 1.69
    cumene 0.1
    2-octanol 1.18
    2-hexanone 1.02
    octyl acetate 1.2
    limonene 0.36
    1,2-dimethoxyethane 13.78
    ethyl orthosilicate 0.81
    tributyl phosphate 0.89
    diacetone alcohol 5.88
    N,N-dimethylaniline 0.66
    acrylonitrile 3.13
    aniline 1.2
    1,3-propanediol 28.72
    bromobenzene 0.14
    dibromomethane 0.78
    1,1,2,2-tetrachloroethane 2.36
    2-methyl-cyclohexyl acetate 0.79
    tetrabutyl urea 2.01
    diisobutyl methanol 0.38
    2-phenylethanol 1.44
    styrene 0.13
    dioctyl adipate 1.58
    dimethyl sulfate 14.87
    ethyl butyrate 0.73
    methyl lactate 13.54
    butyl lactate 3.31
    diethyl carbonate 0.57
    propanediol butyl ether 11.81
    triethyl orthoformate 1.01
    p-tert-butyltoluene 0.18
    methyl 4-tert-butylbenzoate 3.56
    morpholine 15.38
    tert-butylamine 0.56
    n-dodecanol 0.85
    dimethoxymethane 21.03
    ethylene carbonate 3.5
    cyrene 14.54
    2-ethoxyethyl acetate 3.25
    2-ethylhexyl acetate 0.38
    1,2,4-trichlorobenzene 0.5
    4-methylpyridine 1.77
    dibutyl ether 0.73
    2,6-dimethyl-4-heptanol 0.38
    DEF 8.02
    dimethyl isosorbide 9.42
    tetrachloroethylene 1.76
    eugenol 4.54
    triacetin 4.2
    span 80 6.73
    1,4-butanediol 9.31
    1,1-dichloroethane 0.51
    2-methyl-1-pentanol 1.25
    methyl formate 20.41
    2-methyl-1-butanol 2.42
    n-decane 0.12
    butyronitrile 1.24
    3,7-dimethyl-1-octanol 0.99
    1-chlorooctane 0.42
    1-chlorotetradecane 0.16
    n-nonane 0.1
    undecane 0.08
    tert-butylcyclohexane 0.02
    cyclooctane 0.06
    cyclopentanol 4.62
    tetrahydropyran 3.11
    tert-amyl methyl ether 0.92
    2,5,8-trioxanonane 15.49
    1-hexene 0.09
    2-isopropoxyethanol 7.51
    2,2,2-trifluoroethanol 22.82
    methyl butyrate 1.39

    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