Ciceritol

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  • Identifiers

    CAS number
    88167-26-4

    Molecular formula
    C19H34O16

    SMILES
    CO[C@@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 72.39%
    Sweet 44.19%
    Woody 22.68%
    Alcoholic 21.45%
    Caramellic 20.24%
    Cooling 16.06%
    Vanilla 15.76%
    Savory 15.59%
    Clean 15.29%
    Smoky 15.18%

     

    Flavor
    Sweet 78.88%
    Odorless 54.08%
    Bitter 45.98%
    Sweet-like 32.13%
    Very slight 21.73%
    Cauliflower 21.72%
    Fatty 21.24%
    Soup 20.35%
    Alkaline 20.25%
    Mentholic 19.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -6.9

    pKa est.
    3.07 (weak acid)

    Molecular weight
    518.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    4732°C

    Flash point

    • 283.9 ˚C est.

  • Synonyms

    • ciceritol
    • (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol
    • (1S,2R,3S,4R,5S,6S)-4-methoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,5-tetrol
    • O-alpha-D-galactopyranosyl-(1->6)-O-alpha-D-galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol
    • (1S,2R,3S,4R,5S,6S)-4-methoxy-6-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)oxan-2-yl)oxy)cyclohexane-1,2,3,5-tetrol
    • (1S,2R,3S,4R,5S,6S)-4-methoxy-6-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxycyclohexane-1,2,3,5-tetrol
    • RefChem:126092
    • 88167-26-4
    • SCHEMBL29375060
    • CHEBI:191970
    • 88167-26-4

  • Applications

    Ciceritol (CAS 88167-26-4) is a carbohydrate-derived polyol that is typically evaluated as a processing aid and building block in specialty formulations. In industrial manufacturing, it can serve as a polyol component in polymer and coating formulations, potentially functioning as a plasticizer or crosslinking modifier. In cosmetics and personal care, it may act as a humectant and moisture-retaining additive. In cleaning and household products, it can contribute as a mild humectant or formulation stabilizer. It is also explored as a co-solvent or processing aid in pharmaceutical formulations and as a building block for the synthesis of more complex fine chemicals. In some applications, it may be considered for agricultural formulations as an osmoprotectant or carrier molecule. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.14
    methanol 11.0
    isopropanol 0.58
    water 27.91
    ethyl acetate 0.25
    n-propanol 1.07
    acetone 0.62
    n-butanol 0.74
    acetonitrile 0.27
    DMF 16.29
    toluene 0.11
    isobutanol 0.29
    1,4-dioxane 1.91
    methyl acetate 0.25
    THF 2.2
    2-butanone 0.42
    n-pentanol 0.28
    sec-butanol 0.39
    n-hexane 0.01
    ethylene glycol 13.94
    NMP 21.18
    cyclohexane 0.06
    DMSO 79.45
    n-butyl acetate 0.1
    n-octanol 0.31
    chloroform 0.09
    n-propyl acetate 0.09
    acetic acid 7.78
    dichloromethane 0.15
    cyclohexanone 1.0
    propylene glycol 7.44
    isopropyl acetate 0.13
    DMAc 12.09
    2-ethoxyethanol 4.49
    isopentanol 0.25
    n-heptane 0.05
    ethyl formate 0.47
    1,2-dichloroethane 0.16
    n-hexanol 0.24
    2-methoxyethanol 17.43
    isobutyl acetate 0.03
    tetrachloromethane 0.04
    n-pentyl acetate 0.21
    transcutol 6.86
    n-heptanol 0.42
    ethylbenzene 0.04
    MIBK 0.14
    2-propoxyethanol 2.78
    tert-butanol 0.22
    MTBE 0.08
    2-butoxyethanol 2.43
    propionic acid 1.24
    o-xylene 0.11
    formic acid 60.13
    diethyl ether 0.27
    m-xylene 0.07
    p-xylene 0.03
    chlorobenzene 0.03
    dimethyl carbonate 0.92
    n-octane 0.03
    formamide 40.42
    cyclopentanone 1.59
    2-pentanone 0.39
    anisole 0.11
    cyclopentyl methyl ether 0.68
    gamma-butyrolactone 2.29
    1-methoxy-2-propanol 6.57
    pyridine 0.86
    3-pentanone 0.33
    furfural 3.42
    n-dodecane 0.02
    diethylene glycol 8.25
    diisopropyl ether 0.04
    tert-amyl alcohol 0.25
    acetylacetone 0.71
    n-hexadecane 0.02
    acetophenone 0.23
    methyl propionate 0.62
    isopentyl acetate 0.07
    trichloroethylene 0.21
    n-nonanol 0.3
    cyclohexanol 0.61
    benzyl alcohol 0.36
    2-ethylhexanol 0.1
    isooctanol 0.2
    dipropyl ether 0.23
    1,2-dichlorobenzene 0.03
    ethyl lactate 0.5
    propylene carbonate 0.63
    n-methylformamide 7.87
    2-pentanol 0.27
    n-pentane 0.03
    1-propoxy-2-propanol 1.33
    1-methoxy-2-propyl acetate 0.57
    2-(2-methoxypropoxy) propanol 1.47
    mesitylene 0.05
    ε-caprolactone 1.07
    p-cymene 0.05
    epichlorohydrin 1.3
    1,1,1-trichloroethane 0.03
    2-aminoethanol 9.74
    morpholine-4-carbaldehyde 16.33
    sulfolane 11.13
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.62
    n-hexyl acetate 0.22
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.86
    sec-butyl acetate 0.05
    tert-butyl acetate 0.12
    decalin 0.01
    glycerin 31.95
    diglyme 4.62
    acrylic acid 2.75
    isopropyl myristate 0.07
    n-butyric acid 1.03
    acetyl acetate 0.21
    di(2-ethylhexyl) phthalate 0.16
    ethyl propionate 0.12
    nitromethane 5.38
    1,2-diethoxyethane 0.53
    benzonitrile 0.11
    trioctyl phosphate 0.15
    1-bromopropane 0.07
    gamma-valerolactone 6.82
    n-decanol 0.19
    triethyl phosphate 0.15
    4-methyl-2-pentanol 0.09
    propionitrile 0.15
    vinylene carbonate 0.75
    1,1,2-trichlorotrifluoroethane 5.45
    DMS 0.3
    cumene 0.02
    2-octanol 0.18
    2-hexanone 0.12
    octyl acetate 0.15
    limonene 0.09
    1,2-dimethoxyethane 2.08
    ethyl orthosilicate 0.13
    tributyl phosphate 0.1
    diacetone alcohol 0.88
    N,N-dimethylaniline 0.15
    acrylonitrile 0.35
    aniline 0.38
    1,3-propanediol 7.58
    bromobenzene 0.02
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.22
    2-methyl-cyclohexyl acetate 0.1
    tetrabutyl urea 0.29
    diisobutyl methanol 0.07
    2-phenylethanol 0.26
    styrene 0.04
    dioctyl adipate 0.17
    dimethyl sulfate 3.44
    ethyl butyrate 0.13
    methyl lactate 3.27
    butyl lactate 0.56
    diethyl carbonate 0.08
    propanediol butyl ether 3.25
    triethyl orthoformate 0.18
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 0.6
    morpholine 3.59
    tert-butylamine 0.07
    n-dodecanol 0.12
    dimethoxymethane 4.46
    ethylene carbonate 0.51
    cyrene 3.35
    2-ethoxyethyl acetate 0.55
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.06
    4-methylpyridine 0.38
    dibutyl ether 0.13
    2,6-dimethyl-4-heptanol 0.07
    DEF 1.79
    dimethyl isosorbide 2.03
    tetrachloroethylene 0.24
    eugenol 0.76
    triacetin 0.59
    span 80 1.59
    1,4-butanediol 1.97
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.12
    methyl formate 3.84
    2-methyl-1-butanol 0.3
    n-decane 0.03
    butyronitrile 0.14
    3,7-dimethyl-1-octanol 0.11
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.04
    cyclopentanol 0.83
    tetrahydropyran 0.63
    tert-amyl methyl ether 0.15
    2,5,8-trioxanonane 3.51
    1-hexene 0.03
    2-isopropoxyethanol 1.13
    2,2,2-trifluoroethanol 4.76
    methyl butyrate 0.18

    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