Cichorioside C

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  • Identifiers

    CAS number
    117013-50-0

    Molecular formula
    C21H32O9

    SMILES
    C[C@@H]1[C@@H]2[C@H](C/C(=C\CC(/C(=C\[C@H]2OC1=O)/C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.06%
    Sweet 34.11%
    Caramellic 27.54%
    Vanilla 25.72%
    Spicy 24.72%
    Milky 21.31%
    Creamy 19.41%
    Woody 19.25%
    Burnt 19.04%
    Roasted 18.42%

     

    Flavor
    Bitter 68.59%
    Fatty 29.61%
    Odorless 25.58%
    Sweet-like 25.07%
    Cedarleaf 21.24%
    Cauliflower 20.99%
    Alkaline 20.45%
    Fenugreek 20.45%
    Leaves 20.39%
    Sweet 20.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    6.56 (neutral)

    Molecular weight
    428.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2781°C

    Flash point

    • 249.35 ˚C est.

  • Synonyms

    • Cichorioside C
    • 117013-50-0
    • 117013-50-0

  • Applications

    Cichorioside C (CAS 117013-50-0) can be used as a synthetic intermediate in pharmaceutical and agrochemical synthesis. In cosmetics and personal care, it may be considered a plant-derived ingredient or starting material for experimental formulations. In analytical chemistry and quality control, it can serve as a reference standard for natural product extracts or complex mixtures. It may be evaluated for potential use as a fragrance or flavor precursor in research settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.41
    methanol 116.42
    isopropanol 7.8
    water 8.57
    ethyl acetate 5.83
    n-propanol 13.89
    acetone 27.66
    n-butanol 10.75
    acetonitrile 6.35
    DMF 91.28
    toluene 2.67
    isobutanol 5.18
    1,4-dioxane 36.64
    methyl acetate 5.97
    THF 79.95
    2-butanone 10.58
    n-pentanol 8.86
    sec-butanol 4.78
    n-hexane 0.21
    ethylene glycol 33.26
    NMP 91.16
    cyclohexane 0.84
    DMSO 325.84
    n-butyl acetate 2.21
    n-octanol 6.1
    chloroform 5.56
    n-propyl acetate 3.2
    acetic acid 138.33
    dichloromethane 6.13
    cyclohexanone 28.03
    propylene glycol 24.06
    isopropyl acetate 4.12
    DMAc 94.48
    2-ethoxyethanol 63.24
    isopentanol 6.09
    n-heptane 0.4
    ethyl formate 9.42
    1,2-dichloroethane 5.3
    n-hexanol 5.26
    2-methoxyethanol 113.46
    isobutyl acetate 2.02
    tetrachloromethane 1.26
    n-pentyl acetate 5.42
    transcutol 72.02
    n-heptanol 7.02
    ethylbenzene 1.39
    MIBK 6.02
    2-propoxyethanol 36.21
    tert-butanol 5.25
    MTBE 2.05
    2-butoxyethanol 28.34
    propionic acid 16.63
    o-xylene 2.09
    formic acid 185.36
    diethyl ether 5.11
    m-xylene 2.11
    p-xylene 1.65
    chlorobenzene 2.02
    dimethyl carbonate 11.3
    n-octane 0.32
    formamide 140.78
    cyclopentanone 42.96
    2-pentanone 11.23
    anisole 4.72
    cyclopentyl methyl ether 12.83
    gamma-butyrolactone 42.65
    1-methoxy-2-propanol 49.12
    pyridine 17.32
    3-pentanone 7.09
    furfural 37.85
    n-dodecane 0.22
    diethylene glycol 57.94
    diisopropyl ether 1.08
    tert-amyl alcohol 4.11
    acetylacetone 21.93
    n-hexadecane 0.25
    acetophenone 8.19
    methyl propionate 8.34
    isopentyl acetate 2.63
    trichloroethylene 10.92
    n-nonanol 6.04
    cyclohexanol 8.51
    benzyl alcohol 11.45
    2-ethylhexanol 2.5
    isooctanol 4.89
    dipropyl ether 2.84
    1,2-dichlorobenzene 2.07
    ethyl lactate 8.24
    propylene carbonate 13.14
    n-methylformamide 49.01
    2-pentanol 3.91
    n-pentane 0.32
    1-propoxy-2-propanol 14.93
    1-methoxy-2-propyl acetate 8.13
    2-(2-methoxypropoxy) propanol 19.76
    mesitylene 1.32
    ε-caprolactone 22.62
    p-cymene 1.15
    epichlorohydrin 35.63
    1,1,1-trichloroethane 2.02
    2-aminoethanol 43.57
    morpholine-4-carbaldehyde 92.92
    sulfolane 97.29
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 15.2
    n-hexyl acetate 6.89
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 33.25
    sec-butyl acetate 1.97
    tert-butyl acetate 4.47
    decalin 0.31
    glycerin 65.49
    diglyme 53.53
    acrylic acid 31.0
    isopropyl myristate 2.46
    n-butyric acid 18.23
    acetyl acetate 7.22
    di(2-ethylhexyl) phthalate 5.72
    ethyl propionate 3.02
    nitromethane 84.42
    1,2-diethoxyethane 9.24
    benzonitrile 4.99
    trioctyl phosphate 4.03
    1-bromopropane 1.83
    gamma-valerolactone 90.65
    n-decanol 3.84
    triethyl phosphate 2.88
    4-methyl-2-pentanol 2.38
    propionitrile 3.29
    vinylene carbonate 15.1
    1,1,2-trichlorotrifluoroethane 55.03
    DMS 5.8
    cumene 1.06
    2-octanol 3.58
    2-hexanone 5.42
    octyl acetate 4.26
    limonene 1.74
    1,2-dimethoxyethane 41.76
    ethyl orthosilicate 2.81
    tributyl phosphate 3.3
    diacetone alcohol 15.66
    N,N-dimethylaniline 4.5
    acrylonitrile 6.59
    aniline 6.62
    1,3-propanediol 51.43
    bromobenzene 1.49
    dibromomethane 3.42
    1,1,2,2-tetrachloroethane 8.16
    2-methyl-cyclohexyl acetate 4.36
    tetrabutyl urea 6.61
    diisobutyl methanol 1.56
    2-phenylethanol 8.41
    styrene 1.45
    dioctyl adipate 5.84
    dimethyl sulfate 23.34
    ethyl butyrate 2.49
    methyl lactate 21.0
    butyl lactate 9.51
    diethyl carbonate 1.83
    propanediol butyl ether 29.41
    triethyl orthoformate 3.33
    p-tert-butyltoluene 1.11
    methyl 4-tert-butylbenzoate 11.98
    morpholine 46.84
    tert-butylamine 1.49
    n-dodecanol 2.49
    dimethoxymethane 50.46
    ethylene carbonate 11.35
    cyrene 36.51
    2-ethoxyethyl acetate 11.05
    2-ethylhexyl acetate 1.89
    1,2,4-trichlorobenzene 3.47
    4-methylpyridine 9.19
    dibutyl ether 2.58
    2,6-dimethyl-4-heptanol 1.56
    DEF 19.06
    dimethyl isosorbide 27.59
    tetrachloroethylene 7.42
    eugenol 15.85
    triacetin 11.79
    span 80 19.06
    1,4-butanediol 23.32
    1,1-dichloroethane 2.02
    2-methyl-1-pentanol 5.48
    methyl formate 37.68
    2-methyl-1-butanol 5.38
    n-decane 0.45
    butyronitrile 3.99
    3,7-dimethyl-1-octanol 3.56
    1-chlorooctane 1.53
    1-chlorotetradecane 0.57
    n-nonane 0.39
    undecane 0.29
    tert-butylcyclohexane 0.18
    cyclooctane 0.44
    cyclopentanol 12.11
    tetrahydropyran 15.6
    tert-amyl methyl ether 2.51
    2,5,8-trioxanonane 38.67
    1-hexene 0.73
    2-isopropoxyethanol 24.85
    2,2,2-trifluoroethanol 39.09
    methyl butyrate 4.74

    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