Taraxacoside

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  • Identifiers

    CAS number
    98449-40-2

    Molecular formula
    C18H22O10

    SMILES
    C1C(COC1=O)OC2C(C(C(C(O2)CO)OC(=O)CC3=CC=C(C=C3)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.88%
    Sweet 30.72%
    Vanilla 25.45%
    Milky 22.35%
    Savory 21.37%
    Creamy 19.47%
    Caramellic 18.08%
    Spicy 17.89%
    Bitter 17.27%
    Balsamic 16.75%

     

    Flavor
    Bitter 69.14%
    Odorless 36.03%
    Bland 29.94%
    Sweet-like 27.07%
    Fatty 24.76%
    Very mild 23.72%
    Sweet 21.98%
    Cauliflower 20.16%
    Mild 20.16%
    Cedarleaf 20.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    5.41 (weak acid)

    Molecular weight
    398.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1891°C

    Melting point expt.

    • 178 - 180 °C

    Flash point

    • 247.55 ˚C est.

  • Synonyms

    • Taraxacoside
    • SCHEMBL29608220
    • CHEBI:168895
    • DTXSID801130903
    • 5-Oxooxolan-3-yl 4-O-[(4-hydroxyphenyl)acetyl]hexopyranoside
    • [4,5-dihydroxy-2-(hydroxymethyl)-6-(5-oxooxolan-3-yl)oxyoxan-3-yl] 2-(4-hydroxyphenyl)acetate
    • 98449-40-2
    • 98449-40-2

  • Applications

    Taraxacoside (CAS 98449-40-2) is a natural glycoside isolated from Taraxacum species; in industry it is primarily of interest as a botanical extract for cosmetics/personal care formulations, and as an analytical reference standard for quality control of Taraxacum-derived materials; it is often evaluated as a potential intermediate or starting material in the synthesis of related natural products; in agriculture, the extract or related compounds are considered for plant research as bioactive components; and in natural products/chemistry research, Taraxacoside can serve as a target for analytical method development and structure-activity investigations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.99
    methanol 114.41
    isopropanol 7.47
    water 12.93
    ethyl acetate 2.27
    n-propanol 12.2
    acetone 47.1
    n-butanol 7.74
    acetonitrile 7.33
    DMF 356.43
    toluene 0.45
    isobutanol 3.37
    1,4-dioxane 22.8
    methyl acetate 4.22
    THF 52.55
    2-butanone 9.22
    n-pentanol 3.46
    sec-butanol 4.31
    n-hexane 0.03
    ethylene glycol 74.04
    NMP 141.49
    cyclohexane 0.12
    DMSO 1304.19
    n-butyl acetate 0.74
    n-octanol 3.01
    chloroform 0.87
    n-propyl acetate 1.16
    acetic acid 112.51
    dichloromethane 1.46
    cyclohexanone 17.12
    propylene glycol 49.78
    isopropyl acetate 1.43
    DMAc 276.14
    2-ethoxyethanol 74.86
    isopentanol 4.16
    n-heptane 0.1
    ethyl formate 8.6
    1,2-dichloroethane 1.68
    n-hexanol 1.64
    2-methoxyethanol 205.15
    isobutyl acetate 0.52
    tetrachloromethane 0.21
    n-pentyl acetate 1.48
    transcutol 51.88
    n-heptanol 2.59
    ethylbenzene 0.25
    MIBK 3.02
    2-propoxyethanol 25.81
    tert-butanol 6.15
    MTBE 1.06
    2-butoxyethanol 15.7
    propionic acid 13.04
    o-xylene 0.49
    formic acid 261.41
    diethyl ether 1.75
    m-xylene 0.37
    p-xylene 0.34
    chlorobenzene 0.29
    dimethyl carbonate 10.62
    n-octane 0.08
    formamide 271.41
    cyclopentanone 36.03
    2-pentanone 6.94
    anisole 1.78
    cyclopentyl methyl ether 4.1
    gamma-butyrolactone 36.06
    1-methoxy-2-propanol 78.28
    pyridine 7.9
    3-pentanone 3.55
    furfural 31.7
    n-dodecane 0.08
    diethylene glycol 56.2
    diisopropyl ether 0.33
    tert-amyl alcohol 3.92
    acetylacetone 17.99
    n-hexadecane 0.09
    acetophenone 3.5
    methyl propionate 5.51
    isopentyl acetate 0.86
    trichloroethylene 2.8
    n-nonanol 3.02
    cyclohexanol 4.05
    benzyl alcohol 4.87
    2-ethylhexanol 0.82
    isooctanol 1.74
    dipropyl ether 1.43
    1,2-dichlorobenzene 0.41
    ethyl lactate 6.9
    propylene carbonate 8.1
    n-methylformamide 120.12
    2-pentanol 1.9
    n-pentane 0.05
    1-propoxy-2-propanol 11.38
    1-methoxy-2-propyl acetate 4.3
    2-(2-methoxypropoxy) propanol 16.9
    mesitylene 0.29
    ε-caprolactone 11.21
    p-cymene 0.29
    epichlorohydrin 24.87
    1,1,1-trichloroethane 0.5
    2-aminoethanol 74.5
    morpholine-4-carbaldehyde 122.54
    sulfolane 121.63
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 6.35
    n-hexyl acetate 2.38
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 24.31
    sec-butyl acetate 0.6
    tert-butyl acetate 1.89
    decalin 0.05
    glycerin 131.01
    diglyme 44.59
    acrylic acid 24.93
    isopropyl myristate 1.11
    n-butyric acid 11.29
    acetyl acetate 2.69
    di(2-ethylhexyl) phthalate 2.47
    ethyl propionate 1.4
    nitromethane 136.81
    1,2-diethoxyethane 4.59
    benzonitrile 2.38
    trioctyl phosphate 1.91
    1-bromopropane 0.42
    gamma-valerolactone 91.28
    n-decanol 2.14
    triethyl phosphate 1.62
    4-methyl-2-pentanol 1.06
    propionitrile 3.3
    vinylene carbonate 9.25
    1,1,2-trichlorotrifluoroethane 49.24
    DMS 2.88
    cumene 0.19
    2-octanol 1.33
    2-hexanone 2.11
    octyl acetate 1.95
    limonene 0.47
    1,2-dimethoxyethane 53.25
    ethyl orthosilicate 1.4
    tributyl phosphate 1.74
    diacetone alcohol 12.92
    N,N-dimethylaniline 1.83
    acrylonitrile 8.02
    aniline 2.22
    1,3-propanediol 79.51
    bromobenzene 0.19
    dibromomethane 0.6
    1,1,2,2-tetrachloroethane 2.66
    2-methyl-cyclohexyl acetate 1.52
    tetrabutyl urea 4.78
    diisobutyl methanol 0.6
    2-phenylethanol 2.63
    styrene 0.27
    dioctyl adipate 3.0
    dimethyl sulfate 29.77
    ethyl butyrate 1.23
    methyl lactate 25.63
    butyl lactate 4.4
    diethyl carbonate 1.11
    propanediol butyl ether 19.1
    triethyl orthoformate 1.81
    p-tert-butyltoluene 0.28
    methyl 4-tert-butylbenzoate 6.41
    morpholine 39.76
    tert-butylamine 1.05
    n-dodecanol 1.5
    dimethoxymethane 82.22
    ethylene carbonate 6.45
    cyrene 30.59
    2-ethoxyethyl acetate 3.86
    2-ethylhexyl acetate 0.56
    1,2,4-trichlorobenzene 0.74
    4-methylpyridine 4.04
    dibutyl ether 1.41
    2,6-dimethyl-4-heptanol 0.6
    DEF 20.55
    dimethyl isosorbide 21.01
    tetrachloroethylene 1.76
    eugenol 9.01
    triacetin 6.16
    span 80 12.01
    1,4-butanediol 28.18
    1,1-dichloroethane 0.53
    2-methyl-1-pentanol 2.0
    methyl formate 71.42
    2-methyl-1-butanol 3.44
    n-decane 0.16
    butyronitrile 2.86
    3,7-dimethyl-1-octanol 1.62
    1-chlorooctane 0.56
    1-chlorotetradecane 0.25
    n-nonane 0.13
    undecane 0.11
    tert-butylcyclohexane 0.03
    cyclooctane 0.06
    cyclopentanol 7.27
    tetrahydropyran 6.03
    tert-amyl methyl ether 1.37
    2,5,8-trioxanonane 36.28
    1-hexene 0.14
    2-isopropoxyethanol 19.69
    2,2,2-trifluoroethanol 38.18
    methyl butyrate 2.74

    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