Cichorioside H

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  • Identifiers

    CAS number
    1086489-78-2

    Molecular formula
    C21H28O10

    SMILES
    C[C@H]1[C@@H]2C[C@H](C(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 65.17%
    Sweet 32.99%
    Caramellic 28.7%
    Vanilla 21.88%
    Milky 21.38%
    Burnt 21.1%
    Savory 20.17%
    Spicy 19.02%
    Roasted 16.72%
    Creamy 16.67%

     

    Flavor
    Bitter 84.9%
    Odorless 24.88%
    Sweet-like 24.72%
    Bland 24.27%
    Cedarleaf 20.33%
    Very mild 19.57%
    Fenugreek 19.25%
    Lovage 19.15%
    Leaves 19.05%
    Seedy 18.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.3

    pKa est.
    4.03 (weak acid)

    Molecular weight
    440.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3280°C

    Flash point

    • 243.64 ˚C est.

  • Synonyms

    • Cichorioside H
    • (3S,3aS,5R,9aS,9bS)-9-(hydroxymethyl)-3,6-dimethyl-5-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3,3a,4,5,9a,9b-hexahydroazuleno(4,5-b)furan-2,7-dione
    • (3S,3aS,5R,9aS,9bS)-9-(hydroxymethyl)-3,6-dimethyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
    • RefChem:126098
    • 1086489-78-2
    • 1086489-78-2

  • Applications

    Cichorioside H (CAS 1086489-78-2) is a natural glycoside under evaluation for a range of practical applications. In the fragrance and cosmetics sector, it may serve as a fragrance ingredient or matrix component for formulations; in the food industry, it may be assessed as a flavor source or aroma additive; in pharmaceutical research and natural product development, it is often considered as a lead or precursor for the synthesis of more complex glycosides; and in industrial manufacturing, it can function as an intermediate or starting material for the synthesis of related glycosides. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.36
    methanol 100.34
    isopropanol 9.49
    water 16.1
    ethyl acetate 7.93
    n-propanol 11.41
    acetone 45.12
    n-butanol 8.13
    acetonitrile 10.19
    DMF 138.38
    toluene 1.11
    isobutanol 4.25
    1,4-dioxane 38.02
    methyl acetate 8.58
    THF 68.79
    2-butanone 11.7
    n-pentanol 5.56
    sec-butanol 3.83
    n-hexane 0.11
    ethylene glycol 55.45
    NMP 85.02
    cyclohexane 0.38
    DMSO 408.94
    n-butyl acetate 2.86
    n-octanol 4.12
    chloroform 4.7
    n-propyl acetate 3.66
    acetic acid 216.71
    dichloromethane 5.71
    cyclohexanone 23.13
    propylene glycol 22.24
    isopropyl acetate 4.48
    DMAc 108.16
    2-ethoxyethanol 63.18
    isopentanol 4.48
    n-heptane 0.19
    ethyl formate 16.36
    1,2-dichloroethane 4.52
    n-hexanol 3.65
    2-methoxyethanol 133.7
    isobutyl acetate 1.8
    tetrachloromethane 1.05
    n-pentyl acetate 5.16
    transcutol 47.45
    n-heptanol 4.9
    ethylbenzene 0.65
    MIBK 4.73
    2-propoxyethanol 32.4
    tert-butanol 5.36
    MTBE 1.56
    2-butoxyethanol 23.49
    propionic acid 18.42
    o-xylene 0.89
    formic acid 306.44
    diethyl ether 3.92
    m-xylene 0.83
    p-xylene 0.9
    chlorobenzene 1.27
    dimethyl carbonate 16.47
    n-octane 0.2
    formamide 255.48
    cyclopentanone 42.03
    2-pentanone 10.74
    anisole 2.59
    cyclopentyl methyl ether 7.06
    gamma-butyrolactone 52.01
    1-methoxy-2-propanol 47.12
    pyridine 14.93
    3-pentanone 5.81
    furfural 45.23
    n-dodecane 0.14
    diethylene glycol 66.45
    diisopropyl ether 0.78
    tert-amyl alcohol 3.14
    acetylacetone 26.74
    n-hexadecane 0.16
    acetophenone 5.41
    methyl propionate 9.48
    isopentyl acetate 2.56
    trichloroethylene 8.9
    n-nonanol 4.16
    cyclohexanol 4.94
    benzyl alcohol 6.9
    2-ethylhexanol 1.52
    isooctanol 3.08
    dipropyl ether 2.18
    1,2-dichlorobenzene 1.33
    ethyl lactate 8.63
    propylene carbonate 16.95
    n-methylformamide 84.34
    2-pentanol 2.67
    n-pentane 0.15
    1-propoxy-2-propanol 12.09
    1-methoxy-2-propyl acetate 8.65
    2-(2-methoxypropoxy) propanol 14.55
    mesitylene 0.57
    ε-caprolactone 19.9
    p-cymene 0.6
    epichlorohydrin 34.21
    1,1,1-trichloroethane 1.79
    2-aminoethanol 43.67
    morpholine-4-carbaldehyde 110.42
    sulfolane 96.8
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 9.83
    n-hexyl acetate 5.77
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 24.96
    sec-butyl acetate 1.79
    tert-butyl acetate 3.95
    decalin 0.14
    glycerin 72.71
    diglyme 43.67
    acrylic acid 37.97
    isopropyl myristate 1.97
    n-butyric acid 19.69
    acetyl acetate 10.47
    di(2-ethylhexyl) phthalate 3.94
    ethyl propionate 3.28
    nitromethane 161.2
    1,2-diethoxyethane 7.6
    benzonitrile 4.29
    trioctyl phosphate 3.38
    1-bromopropane 1.1
    gamma-valerolactone 102.59
    n-decanol 2.73
    triethyl phosphate 2.49
    4-methyl-2-pentanol 1.68
    propionitrile 4.19
    vinylene carbonate 18.84
    1,1,2-trichlorotrifluoroethane 56.55
    DMS 6.45
    cumene 0.48
    2-octanol 2.49
    2-hexanone 4.42
    octyl acetate 3.66
    limonene 0.88
    1,2-dimethoxyethane 43.65
    ethyl orthosilicate 2.11
    tributyl phosphate 2.9
    diacetone alcohol 13.73
    N,N-dimethylaniline 2.35
    acrylonitrile 9.51
    aniline 3.81
    1,3-propanediol 57.6
    bromobenzene 0.86
    dibromomethane 2.47
    1,1,2,2-tetrachloroethane 6.32
    2-methyl-cyclohexyl acetate 3.18
    tetrabutyl urea 5.51
    diisobutyl methanol 0.91
    2-phenylethanol 5.85
    styrene 0.72
    dioctyl adipate 4.5
    dimethyl sulfate 31.04
    ethyl butyrate 2.75
    methyl lactate 23.46
    butyl lactate 8.25
    diethyl carbonate 2.32
    propanediol butyl ether 23.26
    triethyl orthoformate 2.89
    p-tert-butyltoluene 0.53
    methyl 4-tert-butylbenzoate 8.21
    morpholine 42.79
    tert-butylamine 1.27
    n-dodecanol 1.79
    dimethoxymethane 59.54
    ethylene carbonate 15.03
    cyrene 29.03
    2-ethoxyethyl acetate 11.09
    2-ethylhexyl acetate 1.8
    1,2,4-trichlorobenzene 2.14
    4-methylpyridine 7.19
    dibutyl ether 1.92
    2,6-dimethyl-4-heptanol 0.91
    DEF 18.64
    dimethyl isosorbide 21.1
    tetrachloroethylene 5.82
    eugenol 11.58
    triacetin 10.0
    span 80 13.66
    1,4-butanediol 24.54
    1,1-dichloroethane 1.86
    2-methyl-1-pentanol 3.11
    methyl formate 73.82
    2-methyl-1-butanol 3.47
    n-decane 0.28
    butyronitrile 4.27
    3,7-dimethyl-1-octanol 2.02
    1-chlorooctane 0.99
    1-chlorotetradecane 0.39
    n-nonane 0.24
    undecane 0.18
    tert-butylcyclohexane 0.08
    cyclooctane 0.19
    cyclopentanol 8.67
    tetrahydropyran 10.39
    tert-amyl methyl ether 1.55
    2,5,8-trioxanonane 30.99
    1-hexene 0.4
    2-isopropoxyethanol 21.15
    2,2,2-trifluoroethanol 70.81
    methyl butyrate 5.31

    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