Cichoriin

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  • Identifiers

    CAS number
    531-58-8

    Molecular formula
    C15H16O9

    SMILES
    C1=CC(=O)OC2=CC(=C(C=C21)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 76.99%
    Vanilla 31.17%
    Milky 23.4%
    Sweet 22.52%
    Phenolic 21.92%
    Savory 21.83%
    Caramellic 21.67%
    Burnt 21.5%
    Creamy 19.44%
    Bitter 17.2%

     

    Flavor
    Bitter 72.08%
    Odorless 36.7%
    Bland 29.75%
    Sweet-like 27.54%
    Very mild 22.66%
    Sweet 20.4%
    Eugenol 20.07%
    Very slight 19.96%
    Cedarleaf 19.86%
    Naphthalic 19.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    7.1 (neutral)

    Molecular weight
    340.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1963°C

    Flash point

    • 279.23 ˚C est.

  • Synonyms

    • Cichoriin
    • 531-58-8
    • Cichorioside
    • 5T3VO03BTR
    • 7-(beta-D-Glucopyranosyloxy)-6-hydroxy-2H-1-benzopyran-2-one
    • 6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
    • DTXSID50201181
    • 6-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-2-one
    • RefChem:126096
    • DTXCID50123672
    • UNII-5T3VO03BTR
    • CICHORIN
    • C09206
    • 2H-1-Benzopyran-2-one, 7-(beta-D-glucopyranosyloxy)-6-hydroxy-
    • 6-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
    • AC1L9C8T
    • CICHORIIN [MI]
    • CHEBI:3693
    • orb1297115
    • SCHEMBL1536006
    • SCHEMBL29398048
    • 6-Hydroxy-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranoside
    • 6-HYDROXY-7-GLUCO-COUMARIN
    • HY-N8599
    • MSK169493
    • AKOS040761498
    • EBC-616965
    • 6-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one
    • DA-72212
    • MS-25181
    • XC163782
    • 6,7-DIHYDROXYCOUMARIN 7-GLUCOSIDE
    • CS-0148691
    • NS00094719
    • E88584
    • Q27106168
    • 6-HYDROXY-7-(.BETA.-D-GLUCOPYRANOSYLOXY)COUMARIN
    • 2H-1-Benzopyran-2-one,7-(b-D-glucopyranosyloxy)-6-hydroxy-
    • 7-(|A-D-Glucopyranosyloxy)-6-hydroxy-2H-1-benzopyran-2-one
    • 531-58-8

  • Applications

    Cichoriin (CAS 531-58-8) is a plant-derived phenolic glycoside that is principally encountered as an intermediate and a potential antioxidant source in industrial contexts. It is commonly evaluated as a building block for the synthesis of more complex phenolics and glycoside derivatives. In cosmetics and personal care formulations it may be used as a natural antioxidant component, and in food processing it can function as a polyphenolic ingredient with stabilizing properties. In industrial manufacturing it serves as a precursor for specialty chemicals, and in polymers and coatings it is explored as a stabilizer/antioxidant to improve aging and color stability. It is also of interest for phytochemical research as a reference compound.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.81
    methanol 10.32
    isopropanol 6.15
    water 3.37
    ethyl acetate 0.49
    n-propanol 5.85
    acetone 3.12
    n-butanol 3.35
    acetonitrile 0.69
    DMF 75.45
    toluene 0.15
    isobutanol 1.7
    1,4-dioxane 7.88
    methyl acetate 0.88
    THF 19.97
    2-butanone 2.16
    n-pentanol 1.18
    sec-butanol 3.85
    n-hexane 0.02
    ethylene glycol 52.06
    NMP 50.7
    cyclohexane 0.05
    DMSO 277.82
    n-butyl acetate 0.25
    n-octanol 0.95
    chloroform 0.01
    n-propyl acetate 0.27
    acetic acid 18.48
    dichloromethane 0.01
    cyclohexanone 3.23
    propylene glycol 29.59
    isopropyl acetate 0.39
    DMAc 83.32
    2-ethoxyethanol 36.23
    isopentanol 1.83
    n-heptane 0.11
    ethyl formate 0.78
    1,2-dichloroethane 0.06
    n-hexanol 0.85
    2-methoxyethanol 110.26
    isobutyl acetate 0.09
    tetrachloromethane 0.01
    n-pentyl acetate 0.47
    transcutol 27.51
    n-heptanol 1.38
    ethylbenzene 0.06
    MIBK 0.66
    2-propoxyethanol 12.61
    tert-butanol 4.97
    MTBE 0.75
    2-butoxyethanol 7.29
    propionic acid 3.6
    o-xylene 0.18
    formic acid 77.26
    diethyl ether 0.79
    m-xylene 0.12
    p-xylene 0.08
    chlorobenzene 0.02
    dimethyl carbonate 1.86
    n-octane 0.06
    formamide 104.39
    cyclopentanone 7.38
    2-pentanone 1.44
    anisole 0.35
    cyclopentyl methyl ether 2.24
    gamma-butyrolactone 8.45
    1-methoxy-2-propanol 48.68
    pyridine 2.01
    3-pentanone 0.9
    furfural 6.58
    n-dodecane 0.04
    diethylene glycol 33.24
    diisopropyl ether 0.17
    tert-amyl alcohol 3.57
    acetylacetone 2.64
    n-hexadecane 0.05
    acetophenone 0.64
    methyl propionate 1.41
    isopentyl acetate 0.27
    trichloroethylene 0.05
    n-nonanol 1.09
    cyclohexanol 2.6
    benzyl alcohol 1.03
    2-ethylhexanol 0.44
    isooctanol 0.81
    dipropyl ether 1.07
    1,2-dichlorobenzene 0.02
    ethyl lactate 1.69
    propylene carbonate 1.17
    n-methylformamide 26.42
    2-pentanol 1.64
    n-pentane 0.03
    1-propoxy-2-propanol 6.93
    1-methoxy-2-propyl acetate 1.63
    2-(2-methoxypropoxy) propanol 6.99
    mesitylene 0.09
    ε-caprolactone 2.83
    p-cymene 0.12
    epichlorohydrin 3.23
    1,1,1-trichloroethane 0.01
    2-aminoethanol 46.21
    morpholine-4-carbaldehyde 51.07
    sulfolane 31.82
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.89
    n-hexyl acetate 0.64
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 11.73
    sec-butyl acetate 0.16
    tert-butyl acetate 0.67
    decalin 0.02
    glycerin 98.61
    diglyme 20.61
    acrylic acid 5.52
    isopropyl myristate 0.35
    n-butyric acid 2.35
    acetyl acetate 0.31
    di(2-ethylhexyl) phthalate 0.53
    ethyl propionate 0.31
    nitromethane 20.03
    1,2-diethoxyethane 2.09
    benzonitrile 0.23
    trioctyl phosphate 0.52
    1-bromopropane 0.04
    gamma-valerolactone 27.28
    n-decanol 0.82
    triethyl phosphate 0.47
    4-methyl-2-pentanol 0.55
    propionitrile 0.45
    vinylene carbonate 0.83
    1,1,2-trichlorotrifluoroethane 9.17
    DMS 0.59
    cumene 0.05
    2-octanol 0.73
    2-hexanone 0.51
    octyl acetate 0.6
    limonene 0.21
    1,2-dimethoxyethane 17.81
    ethyl orthosilicate 0.46
    tributyl phosphate 0.43
    diacetone alcohol 6.5
    N,N-dimethylaniline 0.46
    acrylonitrile 0.91
    aniline 0.81
    1,3-propanediol 45.02
    bromobenzene 0.01
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.08
    2-methyl-cyclohexyl acetate 0.41
    tetrabutyl urea 1.44
    diisobutyl methanol 0.39
    2-phenylethanol 0.74
    styrene 0.05
    dioctyl adipate 0.77
    dimethyl sulfate 5.86
    ethyl butyrate 0.38
    methyl lactate 8.85
    butyl lactate 1.47
    diethyl carbonate 0.26
    propanediol butyl ether 8.14
    triethyl orthoformate 0.72
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 2.02
    morpholine 21.19
    tert-butylamine 0.82
    n-dodecanol 0.59
    dimethoxymethane 19.71
    ethylene carbonate 0.7
    cyrene 9.15
    2-ethoxyethyl acetate 1.21
    2-ethylhexyl acetate 0.19
    1,2,4-trichlorobenzene 0.05
    4-methylpyridine 0.83
    dibutyl ether 0.64
    2,6-dimethyl-4-heptanol 0.39
    DEF 5.67
    dimethyl isosorbide 7.23
    tetrachloroethylene 0.08
    eugenol 2.45
    triacetin 1.54
    span 80 4.9
    1,4-butanediol 12.49
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.67
    methyl formate 10.25
    2-methyl-1-butanol 1.78
    n-decane 0.09
    butyronitrile 0.39
    3,7-dimethyl-1-octanol 0.54
    1-chlorooctane 0.15
    1-chlorotetradecane 0.08
    n-nonane 0.07
    undecane 0.06
    tert-butylcyclohexane 0.01
    cyclooctane 0.04
    cyclopentanol 5.26
    tetrahydropyran 2.87
    tert-amyl methyl ether 1.0
    2,5,8-trioxanonane 16.33
    1-hexene 0.05
    2-isopropoxyethanol 8.68
    2,2,2-trifluoroethanol 6.85
    methyl butyrate 0.51

    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