o-(n-acetyl-alpha-neuraminosyl)-(2->3)-o-beta-d-galactopyranosyl-(1->4)-d-glucose, monosodium salt

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  • Identifiers

    CAS number
    128596-80-5

    Molecular formula
    C23H38NNaO19

    SMILES
    CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O.[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 76.38%
    Sweet 42.24%
    Savory 24.69%
    Cooling 18.95%
    Milky 18.94%
    Alcoholic 17.35%
    Buttery 17.28%
    Caramellic 16.14%
    Bitter 15.94%
    Clean 13.97%

     

    Flavor
    Odorless 60.31%
    Bitter 44.29%
    Sweet-like 32.4%
    Sweet 29.7%
    Very mild 29.25%
    Bland 28.89%
    Very slight 20.63%
    Mild 19.82%
    Yeast 19.76%
    Cauliflower 19.51%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    0.79 (strong acid)

    Molecular weight
    655.5 g/mol

    Flash point

    • 326.79 ˚C est.

  • Synonyms

    • sialyllactose sodium
    • 128596-80-5
    • 3'-Sialyllactose Sodium Salt
    • 6B0IF0U3U5
    • UNII-6B0IF0U3U5
    • 3'-SIALYLLACTOSE SODIUM
    • SODIUM 3'-SIALYLLACTOSE
    • O-(N-Acetyl-alpha-neuraminosyl)-(2->3)-o-beta-D-galactopyranosyl-(1->4)-D-glucose, monosodium salt
    • O-(N-ACETYL-.ALPHA.-NEURAMINOSYL)-(2->3)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-D-GLUCOSE, MONOSODIUM SALT
    • RefChem:202345
    • MFCD00166999
    • 3'-Sialyllactose (sodium)
    • Sodium (2S,4S,5R,6R)-5-acetamido-2-(((2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(((2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylate
    • D-Glucose, O-(N-acetyl-alpha-neuraminosyl)-(2->3)-o-beta-D-galactopyranosyl-(1->4)-, monosodium salt
    • sodium;(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
    • orb1694383
    • AKOS037645844
    • HY-108065A
    • AS-64105
    • PD206327
    • SY055958
    • CS-0067111
    • 3 inverted exclamation mark -Sialyllactose Sodium Salt
    • Q27264426
    • D-GLUCOSE, O-(N-ACETYL-.ALPHA.-NEURAMINOSYL)-(2->3)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-, MONOSODIUM SALT
    • 128596-80-5

  • Applications

    o-(n-acetyl-alpha-neuraminosyl)-(2->3)-o-beta-d-galactopyranosyl-(1->4)-d-glucose, monosodium salt (CAS 128596-80-5) is a sialylated oligosaccharide with several practical applications in industry; in food processing, it is evaluated as a prebiotic ingredient suitable for infant formula and functional foods; in nutrition science and glycobiology, it is commonly used as a glycan standard and analytical reagent to study glycan–lectin interactions; in cosmetics and personal care, it may function as a humectant or conditioning agent in certain formulations; and in industrial research, it serves as a reference material and research tool for glycan synthesis and glycome studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.29
    methanol 87.59
    isopropanol 7.11
    water 68.89
    ethyl acetate 3.74
    n-propanol 10.61
    acetone 16.22
    n-butanol 5.24
    acetonitrile 4.39
    DMF 165.9
    toluene 0.76
    isobutanol 3.11
    1,4-dioxane 15.98
    methyl acetate 5.36
    THF 21.36
    2-butanone 6.79
    n-pentanol 2.55
    sec-butanol 3.9
    n-hexane 0.09
    ethylene glycol 80.73
    NMP 148.16
    cyclohexane 0.27
    DMSO 333.11
    n-butyl acetate 0.97
    n-octanol 1.35
    chloroform 1.31
    n-propyl acetate 1.33
    acetic acid 110.15
    dichloromethane 2.46
    cyclohexanone 9.54
    propylene glycol 50.14
    isopropyl acetate 1.71
    DMAc 115.95
    2-ethoxyethanol 29.52
    isopentanol 1.95
    n-heptane 0.16
    ethyl formate 7.53
    1,2-dichloroethane 2.19
    n-hexanol 1.4
    2-methoxyethanol 97.92
    isobutyl acetate 0.45
    tetrachloromethane 0.44
    n-pentyl acetate 1.34
    transcutol 26.18
    n-heptanol 1.58
    ethylbenzene 0.26
    MIBK 1.44
    2-propoxyethanol 13.75
    tert-butanol 2.82
    MTBE 1.04
    2-butoxyethanol 9.36
    propionic acid 16.23
    o-xylene 0.6
    formic acid 294.99
    diethyl ether 2.51
    m-xylene 0.39
    p-xylene 0.25
    chlorobenzene 0.39
    dimethyl carbonate 11.52
    n-octane 0.11
    formamide 207.83
    cyclopentanone 17.94
    2-pentanone 4.76
    anisole 1.1
    cyclopentyl methyl ether 3.89
    gamma-butyrolactone 27.18
    1-methoxy-2-propanol 38.12
    pyridine 7.59
    3-pentanone 3.73
    furfural 27.05
    n-dodecane 0.06
    diethylene glycol 34.89
    diisopropyl ether 0.34
    tert-amyl alcohol 2.37
    acetylacetone 9.99
    n-hexadecane 0.06
    acetophenone 1.98
    methyl propionate 7.53
    isopentyl acetate 0.58
    trichloroethylene 3.02
    n-nonanol 1.28
    cyclohexanol 3.48
    benzyl alcohol 2.87
    2-ethylhexanol 0.52
    isooctanol 0.81
    dipropyl ether 1.31
    1,2-dichlorobenzene 0.34
    ethyl lactate 4.39
    propylene carbonate 7.37
    n-methylformamide 78.46
    2-pentanol 1.97
    n-pentane 0.17
    1-propoxy-2-propanol 6.3
    1-methoxy-2-propyl acetate 3.83
    2-(2-methoxypropoxy) propanol 6.3
    mesitylene 0.22
    ε-caprolactone 9.53
    p-cymene 0.19
    epichlorohydrin 13.45
    1,1,1-trichloroethane 0.52
    2-aminoethanol 58.37
    morpholine-4-carbaldehyde 98.3
    sulfolane 80.41
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 5.74
    n-hexyl acetate 1.4
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 10.77
    sec-butyl acetate 0.62
    tert-butyl acetate 1.34
    decalin 0.06
    glycerin 144.31
    diglyme 18.9
    acrylic acid 30.72
    isopropyl myristate 0.44
    n-butyric acid 10.3
    acetyl acetate 3.26
    di(2-ethylhexyl) phthalate 0.92
    ethyl propionate 1.5
    nitromethane 82.41
    1,2-diethoxyethane 3.09
    benzonitrile 1.12
    trioctyl phosphate 0.85
    1-bromopropane 0.74
    gamma-valerolactone 61.59
    n-decanol 0.89
    triethyl phosphate 0.9
    4-methyl-2-pentanol 0.65
    propionitrile 2.29
    vinylene carbonate 8.24
    1,1,2-trichlorotrifluoroethane 35.5
    DMS 2.54
    cumene 0.15
    2-octanol 0.8
    2-hexanone 1.52
    octyl acetate 0.99
    limonene 0.38
    1,2-dimethoxyethane 18.87
    ethyl orthosilicate 0.72
    tributyl phosphate 0.69
    diacetone alcohol 6.66
    N,N-dimethylaniline 1.06
    acrylonitrile 5.09
    aniline 2.62
    1,3-propanediol 43.7
    bromobenzene 0.24
    dibromomethane 1.08
    1,1,2,2-tetrachloroethane 2.62
    2-methyl-cyclohexyl acetate 0.72
    tetrabutyl urea 1.85
    diisobutyl methanol 0.27
    2-phenylethanol 1.46
    styrene 0.31
    dioctyl adipate 1.23
    dimethyl sulfate 29.98
    ethyl butyrate 1.08
    methyl lactate 22.95
    butyl lactate 3.13
    diethyl carbonate 0.73
    propanediol butyl ether 12.48
    triethyl orthoformate 1.14
    p-tert-butyltoluene 0.18
    methyl 4-tert-butylbenzoate 2.83
    morpholine 26.1
    tert-butylamine 0.84
    n-dodecanol 0.6
    dimethoxymethane 37.94
    ethylene carbonate 5.51
    cyrene 17.09
    2-ethoxyethyl acetate 3.58
    2-ethylhexyl acetate 0.44
    1,2,4-trichlorobenzene 0.6
    4-methylpyridine 3.72
    dibutyl ether 0.68
    2,6-dimethyl-4-heptanol 0.27
    DEF 14.11
    dimethyl isosorbide 8.3
    tetrachloroethylene 2.54
    eugenol 3.53
    triacetin 3.61
    span 80 6.3
    1,4-butanediol 15.46
    1,1-dichloroethane 0.91
    2-methyl-1-pentanol 1.08
    methyl formate 52.79
    2-methyl-1-butanol 2.31
    n-decane 0.11
    butyronitrile 1.68
    3,7-dimethyl-1-octanol 0.47
    1-chlorooctane 0.31
    1-chlorotetradecane 0.12
    n-nonane 0.11
    undecane 0.08
    tert-butylcyclohexane 0.03
    cyclooctane 0.12
    cyclopentanol 6.49
    tetrahydropyran 5.15
    tert-amyl methyl ether 1.28
    2,5,8-trioxanonane 14.16
    1-hexene 0.26
    2-isopropoxyethanol 8.5
    2,2,2-trifluoroethanol 47.65
    methyl butyrate 2.33

    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