Quercilicoside A

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  • Identifiers

    CAS number
    87340-30-5

    Molecular formula
    C36H58O11

    SMILES
    CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O

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  • Odor profile

    Fragrance
    Woody 49.51%
    Odorless 48.63%
    Spicy 36.8%
    Balsamic 32.27%
    Cooling 30.16%
    Amber 29.47%
    Sweet 28.86%
    Mint 27.4%
    Dry 25.95%
    Cedar 24.5%

     

    Flavor
    Bitter 63.23%
    Odorless 28.44%
    Sweet 27.38%
    Fatty 27.08%
    Sweet-like 25.84%
    Pine 23.92%
    Cedarleaf 22.93%
    Patchouli 22.25%
    Soil 21.65%
    Fir 21.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    4.74 (weak acid)

    Molecular weight
    666.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    730°C

    Melting point expt.

    • 247 °C

    Flash point

    • 304.01 ˚C est.

  • Synonyms

    • Quercilicoside A
    • [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
    • 87340-30-5
    • Compound NP-022874
    • SCHEMBL29934512
    • CHEBI:168117
    • VDA26248
    • AKOS040737614
    • 87340-30-5

  • Applications

    Quercilicoside A (CAS 87340-30-5) may be considered a natural ingredient for cosmetics and personal care formulations, serving as an antioxidant and formulation stabilizer; it can function as a precursor or intermediate in pharmaceutical synthesis and medicinal chemistry exploration; it could be evaluated in botanical extracts for nutraceutical-type applications; in agriculture, it may be investigated as a bioactive constituent for plant-protection formulations; in coatings, inks, and polymer systems it could be assessed as a natural stabilizer or antioxidant additive, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.93
    methanol 26.23
    isopropanol 1.07
    water 0.06
    ethyl acetate 1.03
    n-propanol 1.79
    acetone 4.35
    n-butanol 0.73
    acetonitrile 0.84
    DMF 24.91
    toluene 0.36
    isobutanol 0.59
    1,4-dioxane 9.4
    methyl acetate 1.47
    THF 17.03
    2-butanone 2.0
    n-pentanol 0.6
    sec-butanol 0.46
    n-hexane 0.02
    ethylene glycol 4.53
    NMP 19.36
    cyclohexane 0.04
    DMSO 35.1
    n-butyl acetate 0.52
    n-octanol 0.53
    chloroform 1.85
    n-propyl acetate 0.55
    acetic acid 15.65
    dichloromethane 1.59
    cyclohexanone 2.8
    propylene glycol 3.55
    isopropyl acetate 0.65
    DMAc 17.56
    2-ethoxyethanol 7.64
    isopentanol 0.4
    n-heptane 0.03
    ethyl formate 1.51
    1,2-dichloroethane 1.0
    n-hexanol 0.5
    2-methoxyethanol 20.0
    isobutyl acetate 0.29
    tetrachloromethane 0.3
    n-pentyl acetate 1.06
    transcutol 9.01
    n-heptanol 0.77
    ethylbenzene 0.16
    MIBK 0.65
    2-propoxyethanol 7.84
    tert-butanol 0.67
    MTBE 0.44
    2-butoxyethanol 5.08
    propionic acid 2.0
    o-xylene 0.23
    formic acid 17.69
    diethyl ether 0.84
    m-xylene 0.25
    p-xylene 0.18
    chlorobenzene 0.35
    dimethyl carbonate 2.78
    n-octane 0.02
    formamide 13.5
    cyclopentanone 6.89
    2-pentanone 1.22
    anisole 0.8
    cyclopentyl methyl ether 1.68
    gamma-butyrolactone 7.91
    1-methoxy-2-propanol 8.44
    pyridine 3.59
    3-pentanone 1.01
    furfural 7.72
    n-dodecane 0.01
    diethylene glycol 10.46
    diisopropyl ether 0.14
    tert-amyl alcohol 0.4
    acetylacetone 3.37
    n-hexadecane 0.01
    acetophenone 1.07
    methyl propionate 1.74
    isopentyl acetate 0.44
    trichloroethylene 2.47
    n-nonanol 0.55
    cyclohexanol 0.46
    benzyl alcohol 1.31
    2-ethylhexanol 0.19
    isooctanol 0.46
    dipropyl ether 0.46
    1,2-dichlorobenzene 0.33
    ethyl lactate 1.08
    propylene carbonate 2.19
    n-methylformamide 11.67
    2-pentanol 0.27
    n-pentane 0.03
    1-propoxy-2-propanol 2.92
    1-methoxy-2-propyl acetate 2.15
    2-(2-methoxypropoxy) propanol 2.69
    mesitylene 0.14
    ε-caprolactone 2.55
    p-cymene 0.11
    epichlorohydrin 7.89
    1,1,1-trichloroethane 0.42
    2-aminoethanol 5.97
    morpholine-4-carbaldehyde 25.0
    sulfolane 16.75
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.04
    n-hexyl acetate 1.07
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.55
    sec-butyl acetate 0.29
    tert-butyl acetate 0.76
    decalin 0.02
    glycerin 9.77
    diglyme 9.61
    acrylic acid 3.81
    isopropyl myristate 0.23
    n-butyric acid 1.65
    acetyl acetate 1.23
    di(2-ethylhexyl) phthalate 0.57
    ethyl propionate 0.52
    nitromethane 14.86
    1,2-diethoxyethane 1.59
    benzonitrile 0.59
    trioctyl phosphate 0.38
    1-bromopropane 0.27
    gamma-valerolactone 21.39
    n-decanol 0.28
    triethyl phosphate 0.32
    4-methyl-2-pentanol 0.19
    propionitrile 0.57
    vinylene carbonate 2.65
    1,1,2-trichlorotrifluoroethane 11.84
    DMS 1.4
    cumene 0.11
    2-octanol 0.33
    2-hexanone 0.68
    octyl acetate 0.46
    limonene 0.14
    1,2-dimethoxyethane 7.79
    ethyl orthosilicate 0.31
    tributyl phosphate 0.28
    diacetone alcohol 2.17
    N,N-dimethylaniline 0.67
    acrylonitrile 1.3
    aniline 0.79
    1,3-propanediol 5.37
    bromobenzene 0.26
    dibromomethane 0.76
    1,1,2,2-tetrachloroethane 1.91
    2-methyl-cyclohexyl acetate 0.47
    tetrabutyl urea 0.57
    diisobutyl methanol 0.12
    2-phenylethanol 1.17
    styrene 0.18
    dioctyl adipate 0.54
    dimethyl sulfate 5.72
    ethyl butyrate 0.42
    methyl lactate 3.8
    butyl lactate 1.52
    diethyl carbonate 0.28
    propanediol butyl ether 4.99
    triethyl orthoformate 0.5
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 1.93
    morpholine 9.23
    tert-butylamine 0.18
    n-dodecanol 0.15
    dimethoxymethane 15.04
    ethylene carbonate 1.78
    cyrene 5.28
    2-ethoxyethyl acetate 2.98
    2-ethylhexyl acetate 0.31
    1,2,4-trichlorobenzene 0.56
    4-methylpyridine 1.51
    dibutyl ether 0.25
    2,6-dimethyl-4-heptanol 0.12
    DEF 2.36
    dimethyl isosorbide 4.66
    tetrachloroethylene 1.74
    eugenol 2.22
    triacetin 2.06
    span 80 2.54
    1,4-butanediol 1.87
    1,1-dichloroethane 0.47
    2-methyl-1-pentanol 0.32
    methyl formate 9.01
    2-methyl-1-butanol 0.39
    n-decane 0.03
    butyronitrile 0.4
    3,7-dimethyl-1-octanol 0.26
    1-chlorooctane 0.13
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 1.05
    tetrahydropyran 1.9
    tert-amyl methyl ether 0.36
    2,5,8-trioxanonane 5.35
    1-hexene 0.08
    2-isopropoxyethanol 2.85
    2,2,2-trifluoroethanol 4.44
    methyl butyrate 0.69

    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