Cynaroside A

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  • Identifiers

    CAS number
    117804-06-5

    Molecular formula
    C21H32O10

    SMILES
    CC1C(CC2C1C3C(CCC2=C)C(C(=O)O3)(CO)O)OC4C(C(C(C(O4)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 69.27%
    Sweet 30.0%
    Spicy 24.54%
    Woody 23.23%
    Cooling 21.55%
    Caramellic 17.91%
    Milky 17.76%
    Vanilla 17.72%
    Mint 17.44%
    Bitter 17.03%

     

    Flavor
    Bitter 70.62%
    Odorless 33.68%
    Sweet 31.37%
    Fatty 29.74%
    Sweet-like 28.81%
    Bland 22.91%
    Alkaline 21.11%
    Cauliflower 21.11%
    Cedarleaf 21.09%
    Naphthalic 20.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    5.14 (weak acid)

    Molecular weight
    444.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    1942°C

    Flash point

    • 232.95 ˚C est.

  • Synonyms

    • Cynaroside A
    • RefChem:1082799
    • SCHEMBL30440792
    • CHEBI:169162
    • DTXSID001101261
    • 117804-06-5
    • (3R,3aR,6aR,8S,9S,9aR,9bR)-8-(I(2)-D-Glucopyranosyloxy)decahydro-3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methyleneazuleno[4,5-b]furan-2(3H)-one
    • 3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]uran-2-one
    • 117804-06-5

  • Applications

    Cynaroside A (CAS 117804-06-5) is a flavonoid glycoside encountered in plant extracts and is commonly evaluated for cosmetic and personal care applications as a natural antioxidant and stabilizer; in research settings it serves as a lead compound and synthetic intermediate in flavonoid chemistry relevant to pharmaceutical development; it is often investigated for antioxidant activity in food systems and may be considered as a functional ingredient or nutraceutical component in food processing contexts; in analytical laboratories it is used as a reference standard for method development and quality control in phytochemical analyses; and in plant science it functions as a phytochemical marker supporting metabolomic profiling and provenance studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.92
    methanol 234.95
    isopropanol 12.28
    water 16.96
    ethyl acetate 10.9
    n-propanol 17.26
    acetone 45.84
    n-butanol 14.46
    acetonitrile 6.9
    DMF 136.82
    toluene 2.3
    isobutanol 6.96
    1,4-dioxane 49.99
    methyl acetate 8.84
    THF 120.15
    2-butanone 14.6
    n-pentanol 8.11
    sec-butanol 6.39
    n-hexane 0.16
    ethylene glycol 76.24
    NMP 101.58
    cyclohexane 0.71
    DMSO 487.25
    n-butyl acetate 3.97
    n-octanol 5.65
    chloroform 6.07
    n-propyl acetate 4.11
    acetic acid 213.64
    dichloromethane 7.42
    cyclohexanone 33.41
    propylene glycol 35.69
    isopropyl acetate 7.53
    DMAc 99.06
    2-ethoxyethanol 76.44
    isopentanol 8.48
    n-heptane 0.33
    ethyl formate 16.04
    1,2-dichloroethane 6.42
    n-hexanol 6.38
    2-methoxyethanol 189.68
    isobutyl acetate 2.27
    tetrachloromethane 1.6
    n-pentyl acetate 7.77
    transcutol 90.12
    n-heptanol 7.73
    ethylbenzene 1.02
    MIBK 9.24
    2-propoxyethanol 48.38
    tert-butanol 8.22
    MTBE 3.06
    2-butoxyethanol 36.0
    propionic acid 20.8
    o-xylene 1.73
    formic acid 396.78
    diethyl ether 7.16
    m-xylene 1.79
    p-xylene 1.16
    chlorobenzene 1.87
    dimethyl carbonate 20.83
    n-octane 0.27
    formamide 270.41
    cyclopentanone 57.5
    2-pentanone 17.45
    anisole 4.12
    cyclopentyl methyl ether 15.16
    gamma-butyrolactone 63.64
    1-methoxy-2-propanol 82.28
    pyridine 17.34
    3-pentanone 9.37
    furfural 56.45
    n-dodecane 0.18
    diethylene glycol 93.59
    diisopropyl ether 1.47
    tert-amyl alcohol 5.49
    acetylacetone 42.28
    n-hexadecane 0.21
    acetophenone 7.27
    methyl propionate 12.83
    isopentyl acetate 4.19
    trichloroethylene 12.11
    n-nonanol 5.76
    cyclohexanol 9.51
    benzyl alcohol 9.95
    2-ethylhexanol 2.61
    isooctanol 5.09
    dipropyl ether 3.21
    1,2-dichlorobenzene 1.99
    ethyl lactate 10.82
    propylene carbonate 21.09
    n-methylformamide 80.28
    2-pentanol 5.26
    n-pentane 0.31
    1-propoxy-2-propanol 20.6
    1-methoxy-2-propyl acetate 15.23
    2-(2-methoxypropoxy) propanol 21.49
    mesitylene 1.21
    ε-caprolactone 29.77
    p-cymene 1.09
    epichlorohydrin 48.83
    1,1,1-trichloroethane 2.42
    2-aminoethanol 66.56
    morpholine-4-carbaldehyde 122.68
    sulfolane 135.38
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 18.24
    n-hexyl acetate 8.27
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 41.15
    sec-butyl acetate 2.65
    tert-butyl acetate 8.53
    decalin 0.23
    glycerin 117.38
    diglyme 70.9
    acrylic acid 40.4
    isopropyl myristate 2.77
    n-butyric acid 28.82
    acetyl acetate 13.8
    di(2-ethylhexyl) phthalate 5.47
    ethyl propionate 4.32
    nitromethane 138.54
    1,2-diethoxyethane 11.32
    benzonitrile 4.97
    trioctyl phosphate 4.53
    1-bromopropane 1.84
    gamma-valerolactone 136.62
    n-decanol 3.66
    triethyl phosphate 3.43
    4-methyl-2-pentanol 3.3
    propionitrile 3.91
    vinylene carbonate 22.07
    1,1,2-trichlorotrifluoroethane 73.67
    DMS 8.31
    cumene 0.78
    2-octanol 3.96
    2-hexanone 5.5
    octyl acetate 4.85
    limonene 1.69
    1,2-dimethoxyethane 52.55
    ethyl orthosilicate 3.05
    tributyl phosphate 3.81
    diacetone alcohol 26.74
    N,N-dimethylaniline 3.48
    acrylonitrile 8.27
    aniline 6.11
    1,3-propanediol 83.93
    bromobenzene 1.35
    dibromomethane 3.75
    1,1,2,2-tetrachloroethane 9.25
    2-methyl-cyclohexyl acetate 4.47
    tetrabutyl urea 6.6
    diisobutyl methanol 1.88
    2-phenylethanol 9.23
    styrene 1.07
    dioctyl adipate 5.87
    dimethyl sulfate 42.07
    ethyl butyrate 3.82
    methyl lactate 34.37
    butyl lactate 12.58
    diethyl carbonate 2.77
    propanediol butyl ether 35.01
    triethyl orthoformate 4.1
    p-tert-butyltoluene 1.05
    methyl 4-tert-butylbenzoate 13.37
    morpholine 56.82
    tert-butylamine 2.06
    n-dodecanol 2.33
    dimethoxymethane 88.18
    ethylene carbonate 17.56
    cyrene 39.56
    2-ethoxyethyl acetate 16.17
    2-ethylhexyl acetate 2.78
    1,2,4-trichlorobenzene 3.0
    4-methylpyridine 9.57
    dibutyl ether 2.57
    2,6-dimethyl-4-heptanol 1.88
    DEF 24.75
    dimethyl isosorbide 33.73
    tetrachloroethylene 9.59
    eugenol 16.84
    triacetin 14.37
    span 80 20.95
    1,4-butanediol 27.71
    1,1-dichloroethane 2.47
    2-methyl-1-pentanol 5.17
    methyl formate 68.52
    2-methyl-1-butanol 6.65
    n-decane 0.35
    butyronitrile 4.79
    3,7-dimethyl-1-octanol 3.54
    1-chlorooctane 1.35
    1-chlorotetradecane 0.5
    n-nonane 0.3
    undecane 0.24
    tert-butylcyclohexane 0.13
    cyclooctane 0.39
    cyclopentanol 14.61
    tetrahydropyran 16.6
    tert-amyl methyl ether 3.1
    2,5,8-trioxanonane 48.8
    1-hexene 0.57
    2-isopropoxyethanol 26.46
    2,2,2-trifluoroethanol 65.38
    methyl butyrate 6.72

    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