Cyclotetraglucose

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  • Identifiers

    CAS number
    159640-28-5

    Molecular formula
    C24H40O20

    SMILES
    C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@H]3[C@@H]([C@H](O[C@@H]([C@@H]3O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@H]5[C@@H]([C@H](O[C@@H]([C@@H]5O)O1)CO)O)O)O)O)CO)O)O)O)O

  • Odor profile

    Fragrance
    Odorless 77.76%
    Sweet 28.84%
    Alcoholic 19.16%
    Caramellic 18.89%
    Woody 17.93%
    Clean 15.11%
    Savory 14.97%
    Cooling 14.72%
    Milky 14.03%
    Smoky 14.02%

     

    Flavor
    Sweet 73.68%
    Bitter 46.83%
    Odorless 44.62%
    Sweet-like 30.1%
    Fatty 27.38%
    Cauliflower 22.37%
    Very slight 21.0%
    Alkaline 20.78%
    Soup 20.13%
    Naphthalic 20.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -7.5

    pKa est.
    4.62 (weak acid)

    Molecular weight
    648.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    5420°C

    Flash point

    • 218.01 ˚C est.

  • Synonyms

    • Cyclotetraglucose
    • Cycloalternan
    • Cyclic nigerosylnigerose
    • 159640-28-5
    • Cyclotetraglucose [INCI]
    • CT-11
    • 80AS740C52
    • CYCLOTETRAOSE
    • UNII-80AS740C52
    • CYCLOALTERNANOTETRAOSE
    • INS NO.1504(II)
    • DTXSID70166703
    • INS NO.1504(I)
    • INS-1504(II)
    • cyclobis-(1->6)-alpha-nigerosyl
    • cyclobis-(1->3)-alpha-isomaltosyl
    • INS-1504(I)
    • E-1504(II)
    • alpha-D-Glucopyranose, o-alpha-D-glucopyranosyl-(1-3)-o-alpha-D-glucopyranosyl-(1-6)-o-alpha-D-glucopyranosyl-(1-3)-, cyclic 1,6'''-anhydride
    • CYCLIC NIGEROSYL-(1->6)-NIGEROSE
    • E-1504(I)
    • (1R,3S,4R,5R,7S,10R,11S,12S,13R,14R,16S,17R,18R,20S,23R,24S,25S,26R,28R,30R)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol
    • .ALPHA.-D-GLUCOPYRANOSE, O-.ALPHA.-D-GLUCOPYRANOSYL-(1-3)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1-6)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1-3)-, CYCLIC 1,6'''-ANHYDRIDE
    • Cycloisomaltotetraose
    • Cyclobis-1,6-alpha-nigerosyl
    • DTXCID5089194
    • CHEBI:136822
    • C21655
    • Q27269133
    • |A-D-Glucopyranose, O-|A-D-glucopyranosyl-(1 inverted exclamation marku3)-O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-O-|A-D-glucopyranosyl-(1 inverted exclamation marku3)-, cyclic 1,6'''-anhydride

  • Applications

    Cyclotetraglucose (CAS 159640-28-5) is a cyclic tetrasaccharide that serves as a host molecule in supramolecular chemistry, enabling encapsulation of volatile fragrance components and active ingredients to improve solubility, stability, and controlled release; it is explored as a carbohydrate-based building block for polymers and glycopolymer networks in materials science; it may function as an excipient or carrier in pharmaceutical formulations to enhance solubility and delivery of poorly soluble drugs; it is studied for agricultural delivery systems to enable slow-release formulations of agrochemicals; and in research settings, CTG is used to form host-guest systems for analytical separation and sensing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.99
    methanol 26.94
    isopropanol 2.06
    water 10.5
    ethyl acetate 1.81
    n-propanol 3.39
    acetone 2.83
    n-butanol 2.04
    acetonitrile 1.33
    DMF 41.57
    toluene 0.53
    isobutanol 1.02
    1,4-dioxane 6.7
    methyl acetate 1.9
    THF 10.8
    2-butanone 2.21
    n-pentanol 1.0
    sec-butanol 1.31
    n-hexane 0.04
    ethylene glycol 18.12
    NMP 46.75
    cyclohexane 0.15
    DMSO 84.9
    n-butyl acetate 0.85
    n-octanol 1.08
    chloroform 0.77
    n-propyl acetate 0.69
    acetic acid 25.09
    dichloromethane 1.14
    cyclohexanone 3.72
    propylene glycol 12.5
    isopropyl acetate 0.91
    DMAc 32.98
    2-ethoxyethanol 11.76
    isopentanol 0.75
    n-heptane 0.15
    ethyl formate 2.83
    1,2-dichloroethane 0.85
    n-hexanol 0.83
    2-methoxyethanol 32.71
    isobutyl acetate 0.27
    tetrachloromethane 0.22
    n-pentyl acetate 1.45
    transcutol 17.86
    n-heptanol 1.32
    ethylbenzene 0.16
    MIBK 0.65
    2-propoxyethanol 8.98
    tert-butanol 0.8
    MTBE 0.45
    2-butoxyethanol 7.83
    propionic acid 5.48
    o-xylene 0.38
    formic acid 78.17
    diethyl ether 1.22
    m-xylene 0.3
    p-xylene 0.15
    chlorobenzene 0.25
    dimethyl carbonate 4.85
    n-octane 0.09
    formamide 63.85
    cyclopentanone 6.88
    2-pentanone 1.82
    anisole 0.53
    cyclopentyl methyl ether 2.59
    gamma-butyrolactone 11.49
    1-methoxy-2-propanol 16.6
    pyridine 4.14
    3-pentanone 1.5
    furfural 13.07
    n-dodecane 0.05
    diethylene glycol 16.58
    diisopropyl ether 0.21
    tert-amyl alcohol 0.77
    acetylacetone 3.39
    n-hexadecane 0.05
    acetophenone 1.04
    methyl propionate 3.38
    isopentyl acetate 0.53
    trichloroethylene 1.45
    n-nonanol 1.04
    cyclohexanol 1.47
    benzyl alcohol 1.41
    2-ethylhexanol 0.41
    isooctanol 0.68
    dipropyl ether 1.02
    1,2-dichlorobenzene 0.23
    ethyl lactate 2.14
    propylene carbonate 3.86
    n-methylformamide 22.83
    2-pentanol 0.84
    n-pentane 0.09
    1-propoxy-2-propanol 5.12
    1-methoxy-2-propyl acetate 3.3
    2-(2-methoxypropoxy) propanol 4.07
    mesitylene 0.17
    ε-caprolactone 4.87
    p-cymene 0.21
    epichlorohydrin 6.29
    1,1,1-trichloroethane 0.23
    2-aminoethanol 15.61
    morpholine-4-carbaldehyde 40.15
    sulfolane 30.01
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 2.97
    n-hexyl acetate 1.28
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 7.69
    sec-butyl acetate 0.38
    tert-butyl acetate 0.76
    decalin 0.04
    glycerin 36.7
    diglyme 13.6
    acrylic acid 10.5
    isopropyl myristate 0.38
    n-butyric acid 4.42
    acetyl acetate 1.5
    di(2-ethylhexyl) phthalate 0.76
    ethyl propionate 0.78
    nitromethane 22.68
    1,2-diethoxyethane 2.45
    benzonitrile 0.67
    trioctyl phosphate 0.68
    1-bromopropane 0.36
    gamma-valerolactone 22.9
    n-decanol 0.68
    triethyl phosphate 0.74
    4-methyl-2-pentanol 0.3
    propionitrile 0.79
    vinylene carbonate 4.45
    1,1,2-trichlorotrifluoroethane 16.1
    DMS 1.66
    cumene 0.1
    2-octanol 0.69
    2-hexanone 0.64
    octyl acetate 0.81
    limonene 0.35
    1,2-dimethoxyethane 7.16
    ethyl orthosilicate 0.65
    tributyl phosphate 0.52
    diacetone alcohol 3.01
    N,N-dimethylaniline 0.6
    acrylonitrile 1.91
    aniline 1.43
    1,3-propanediol 12.88
    bromobenzene 0.17
    dibromomethane 0.59
    1,1,2,2-tetrachloroethane 1.21
    2-methyl-cyclohexyl acetate 0.58
    tetrabutyl urea 1.16
    diisobutyl methanol 0.24
    2-phenylethanol 1.1
    styrene 0.18
    dioctyl adipate 0.96
    dimethyl sulfate 12.76
    ethyl butyrate 0.85
    methyl lactate 10.19
    butyl lactate 2.81
    diethyl carbonate 0.55
    propanediol butyl ether 8.37
    triethyl orthoformate 1.0
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 2.24
    morpholine 11.52
    tert-butylamine 0.27
    n-dodecanol 0.44
    dimethoxymethane 15.0
    ethylene carbonate 2.96
    cyrene 8.04
    2-ethoxyethyl acetate 3.55
    2-ethylhexyl acetate 0.45
    1,2,4-trichlorobenzene 0.38
    4-methylpyridine 1.99
    dibutyl ether 0.61
    2,6-dimethyl-4-heptanol 0.24
    DEF 5.92
    dimethyl isosorbide 6.92
    tetrachloroethylene 1.13
    eugenol 2.7
    triacetin 3.07
    span 80 4.74
    1,4-butanediol 4.52
    1,1-dichloroethane 0.35
    2-methyl-1-pentanol 0.44
    methyl formate 14.71
    2-methyl-1-butanol 0.88
    n-decane 0.11
    butyronitrile 0.75
    3,7-dimethyl-1-octanol 0.43
    1-chlorooctane 0.28
    1-chlorotetradecane 0.1
    n-nonane 0.1
    undecane 0.07
    tert-butylcyclohexane 0.02
    cyclooctane 0.09
    cyclopentanol 2.52
    tetrahydropyran 2.58
    tert-amyl methyl ether 0.62
    2,5,8-trioxanonane 9.25
    1-hexene 0.11
    2-isopropoxyethanol 3.72
    2,2,2-trifluoroethanol 14.3
    methyl butyrate 1.08

    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