Gentianose

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  • Identifiers

    CAS number
    25954-44-3

    Molecular formula
    C18H32O16

    SMILES
    C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 72.4%
    Sweet 49.96%
    Alcoholic 23.19%
    Caramellic 19.3%
    Woody 17.93%
    Cooling 16.63%
    Clean 16.44%
    Savory 15.46%
    Bitter 15.04%
    Milky 15.03%

     

    Flavor
    Sweet 78.79%
    Odorless 55.7%
    Bitter 46.93%
    Sweet-like 33.11%
    Fatty 23.2%
    Cauliflower 21.97%
    Very slight 21.82%
    Soup 20.43%
    Alkaline 20.36%
    Very mild 19.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -5.8

    pKa est.
    3.52 (weak acid)

    Molecular weight
    504.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    4867°C

    Melting point expt.

    • 212 °C

    Flash point

    • 301.25 ˚C est.

  • Synonyms

    • Gentianose
    • 25954-44-3
    • I0ZQ61S45F
    • (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • CHEBI:28782
    • DTXSID401318513
    • beta-D-fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside
    • (2R,3R,4S,5S,6R)-2-(((2R,3S,4S,5R,6R)-6-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    • RefChem:142900
    • GlyTouCan:G93589FN
    • DTXCID301748321
    • G93589FN
    • 247-364-9
    • MFCD00064907
    • alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-beta-D-glucopyranosyl-(1-->6)-
    • beta-D-Glcp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf
    • beta-D-fructofuranosyl beta-D-glucopyranosyl-(1->6)-alpha-D-glucopyranoside
    • UNII-I0ZQ61S45F
    • O-ss-D-glucopyranosyl-(1?6)-ss-D-fructofuranosyl-a-D-glucopyranoside
    • EINECS 247-364-9
    • starbld0009596
    • orb1299125
    • SCHEMBL29362548
    • HY-N8305
    • AKOS040759333
    • O-beta-D-Glucopyranosyl-(1.6)-beta-D-fructofuranosyl-alpha-D-glucopyranoside
    • EBC-617145
    • OG08097
    • (2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
    • AC-34467
    • MS-29363
    • PD167307
    • CS-0142902
    • C08239
    • G12171
    • Q3100866
    • b-D-Glucopyranosyl-(1->6)-a-D-glucopyranosyl-(1->2)-b-D-fructofuranoside
    • b-D-Fructofuranosyl O-b-D-glucopyranosyl-(1->6)-a-D-glucopyranoside, 9CI, 8CI
    • (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
    • .ALPHA.-D-GLUCOPYRANOSIDE, .BETA.-D-FRUCTOFURANOSYL O-.BETA.-D-GLUCOPYRANOSYL-(1->6)-
    • |A-D-Glucopyranoside, |A-D-fructofuranosyl O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-
    • 25954-44-3

  • Applications

    Gentianose (CAS 25954-44-3) is a carbohydrate oligosaccharide used as a pharmaceutical excipient and processing intermediate, and as a glycosylation substrate in synthetic chemistry; it can serve as a carbohydrate source for analytical workflows and method development. In the food sector it may be evaluated as a prebiotic ingredient or texture-forming component, and in cosmetics it can function as a humectant or stabilizer in formulations. In general research and manufacturing contexts, it also serves as an analytical reference standard for carbohydrate quantification.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.59
    methanol 70.09
    isopropanol 4.61
    water 112.23
    ethyl acetate 2.45
    n-propanol 6.81
    acetone 7.08
    n-butanol 4.81
    acetonitrile 2.57
    DMF 139.47
    toluene 0.54
    isobutanol 2.0
    1,4-dioxane 12.91
    methyl acetate 2.39
    THF 15.09
    2-butanone 3.53
    n-pentanol 1.88
    sec-butanol 2.82
    n-hexane 0.06
    ethylene glycol 66.53
    NMP 100.06
    cyclohexane 0.29
    DMSO 406.22
    n-butyl acetate 0.81
    n-octanol 1.7
    chloroform 0.67
    n-propyl acetate 0.77
    acetic acid 53.95
    dichloromethane 1.12
    cyclohexanone 7.06
    propylene glycol 34.22
    isopropyl acetate 1.27
    DMAc 85.73
    2-ethoxyethanol 26.18
    isopentanol 1.77
    n-heptane 0.22
    ethyl formate 3.93
    1,2-dichloroethane 1.19
    n-hexanol 1.34
    2-methoxyethanol 90.43
    isobutyl acetate 0.28
    tetrachloromethane 0.25
    n-pentyl acetate 1.45
    transcutol 29.38
    n-heptanol 2.04
    ethylbenzene 0.17
    MIBK 1.23
    2-propoxyethanol 14.33
    tert-butanol 1.98
    MTBE 0.77
    2-butoxyethanol 11.69
    propionic acid 8.26
    o-xylene 0.48
    formic acid 258.4
    diethyl ether 1.97
    m-xylene 0.34
    p-xylene 0.18
    chlorobenzene 0.22
    dimethyl carbonate 7.89
    n-octane 0.15
    formamide 194.0
    cyclopentanone 11.35
    2-pentanone 3.53
    anisole 0.71
    cyclopentyl methyl ether 4.21
    gamma-butyrolactone 16.61
    1-methoxy-2-propanol 37.57
    pyridine 4.92
    3-pentanone 2.61
    furfural 18.56
    n-dodecane 0.08
    diethylene glycol 35.14
    diisopropyl ether 0.33
    tert-amyl alcohol 1.9
    acetylacetone 6.9
    n-hexadecane 0.09
    acetophenone 1.47
    methyl propionate 4.97
    isopentyl acetate 0.54
    trichloroethylene 1.62
    n-nonanol 1.6
    cyclohexanol 3.5
    benzyl alcohol 2.07
    2-ethylhexanol 0.59
    isooctanol 1.04
    dipropyl ether 1.28
    1,2-dichlorobenzene 0.23
    ethyl lactate 3.41
    propylene carbonate 4.82
    n-methylformamide 56.16
    2-pentanol 1.86
    n-pentane 0.14
    1-propoxy-2-propanol 6.91
    1-methoxy-2-propyl acetate 3.73
    2-(2-methoxypropoxy) propanol 7.12
    mesitylene 0.22
    ε-caprolactone 7.6
    p-cymene 0.24
    epichlorohydrin 8.76
    1,1,1-trichloroethane 0.25
    2-aminoethanol 46.01
    morpholine-4-carbaldehyde 88.26
    sulfolane 60.45
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 4.24
    n-hexyl acetate 1.48
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 12.52
    sec-butyl acetate 0.44
    tert-butyl acetate 1.12
    decalin 0.06
    glycerin 117.92
    diglyme 23.18
    acrylic acid 17.15
    isopropyl myristate 0.49
    n-butyric acid 7.74
    acetyl acetate 2.08
    di(2-ethylhexyl) phthalate 0.95
    ethyl propionate 0.97
    nitromethane 50.39
    1,2-diethoxyethane 3.29
    benzonitrile 0.83
    trioctyl phosphate 0.89
    1-bromopropane 0.42
    gamma-valerolactone 42.97
    n-decanol 1.08
    triethyl phosphate 0.93
    4-methyl-2-pentanol 0.64
    propionitrile 1.17
    vinylene carbonate 5.27
    1,1,2-trichlorotrifluoroethane 28.72
    DMS 2.01
    cumene 0.11
    2-octanol 1.05
    2-hexanone 0.91
    octyl acetate 1.0
    limonene 0.49
    1,2-dimethoxyethane 14.4
    ethyl orthosilicate 0.8
    tributyl phosphate 0.67
    diacetone alcohol 6.0
    N,N-dimethylaniline 0.89
    acrylonitrile 2.86
    aniline 2.1
    1,3-propanediol 41.66
    bromobenzene 0.14
    dibromomethane 0.55
    1,1,2,2-tetrachloroethane 1.58
    2-methyl-cyclohexyl acetate 0.69
    tetrabutyl urea 1.71
    diisobutyl methanol 0.38
    2-phenylethanol 1.49
    styrene 0.18
    dioctyl adipate 1.14
    dimethyl sulfate 23.56
    ethyl butyrate 0.92
    methyl lactate 19.28
    butyl lactate 3.24
    diethyl carbonate 0.6
    propanediol butyl ether 13.15
    triethyl orthoformate 1.19
    p-tert-butyltoluene 0.26
    methyl 4-tert-butylbenzoate 3.25
    morpholine 22.76
    tert-butylamine 0.61
    n-dodecanol 0.72
    dimethoxymethane 33.29
    ethylene carbonate 3.91
    cyrene 14.83
    2-ethoxyethyl acetate 3.62
    2-ethylhexyl acetate 0.44
    1,2,4-trichlorobenzene 0.39
    4-methylpyridine 2.57
    dibutyl ether 0.76
    2,6-dimethyl-4-heptanol 0.38
    DEF 13.98
    dimethyl isosorbide 9.73
    tetrachloroethylene 1.48
    eugenol 3.9
    triacetin 3.7
    span 80 7.18
    1,4-butanediol 11.97
    1,1-dichloroethane 0.4
    2-methyl-1-pentanol 0.85
    methyl formate 31.16
    2-methyl-1-butanol 1.97
    n-decane 0.17
    butyronitrile 1.22
    3,7-dimethyl-1-octanol 0.7
    1-chlorooctane 0.38
    1-chlorotetradecane 0.14
    n-nonane 0.17
    undecane 0.11
    tert-butylcyclohexane 0.03
    cyclooctane 0.17
    cyclopentanol 5.07
    tetrahydropyran 4.1
    tert-amyl methyl ether 1.13
    2,5,8-trioxanonane 16.63
    1-hexene 0.14
    2-isopropoxyethanol 7.28
    2,2,2-trifluoroethanol 31.57
    methyl butyrate 1.45

    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