N-acetyl-7-O-acetylneuraminic acid

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  • Identifiers

    CAS number
    18529-63-0

    Molecular formula
    C13H21NO10

    SMILES
    CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1C(C(CO)O)OC(=O)C)(C(=O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.74%
    Sweet 33.89%
    Savory 28.16%
    Milky 24.3%
    Buttery 22.14%
    Caramellic 18.43%
    Meaty 17.74%
    Cooling 17.07%
    Creamy 16.4%
    Bitter 15.56%

     

    Flavor
    Odorless 59.93%
    Bitter 35.06%
    Very mild 33.67%
    Bland 27.4%
    Sweet-like 26.87%
    Mild 25.03%
    Yeast 20.56%
    Very slight 19.73%
    Toffee 19.08%
    Cotton candy 19.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.4

    pKa est.
    4.64 (weak acid)

    Molecular weight
    351.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1930°C

    Flash point

    • 278.67 ˚C est.

  • Synonyms

    • N-acetyl-7-O-acetylneuraminic acid
    • 18529-63-0
    • CHEBI:21498
    • GlyTouCan:G79608HE
    • RefChem:1048423
    • (2S,4S,5R,6R)-6-((1R,2R)-1-(acetyloxy)-2,3-dihydroxypropyl)-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid
    • G79608HE
    • Q27109401
    • 18529-63-0

  • Applications

    N-acetyl-7-O-acetylneuraminic acid (CAS 18529-63-0) is primarily used as a chemical intermediate and building block in glycoscience, enabling access to sialylated oligosaccharides and glycoprotein mimetics for pharmaceutical research and development. It is commonly used as a precursor for neuraminic acid derivatives and glycoconjugates, supporting enzymatic sialylation workflows and analytical studies in glycobiology. In cosmetics, it is investigated for potential use in formulations as a sugar-derived functional ingredient, subject to formulation limits. In industrial manufacturing, it can serve as an intermediate for the synthesis of more complex neuraminic derivatives and bioactive glycoconjugates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.73
    methanol 66.01
    isopropanol 4.32
    water 161.8
    ethyl acetate 1.53
    n-propanol 6.29
    acetone 9.24
    n-butanol 2.61
    acetonitrile 1.95
    DMF 309.89
    toluene 0.53
    isobutanol 2.29
    1,4-dioxane 12.88
    methyl acetate 2.53
    THF 17.19
    2-butanone 3.19
    n-pentanol 1.83
    sec-butanol 2.72
    n-hexane 0.21
    ethylene glycol 91.49
    NMP 184.6
    cyclohexane 0.41
    DMSO 448.71
    n-butyl acetate 0.92
    n-octanol 1.06
    chloroform 0.51
    n-propyl acetate 1.07
    acetic acid 48.89
    dichloromethane 1.01
    cyclohexanone 7.02
    propylene glycol 40.03
    isopropyl acetate 0.92
    DMAc 166.15
    2-ethoxyethanol 37.37
    isopentanol 1.54
    n-heptane 0.25
    ethyl formate 6.9
    1,2-dichloroethane 1.34
    n-hexanol 1.37
    2-methoxyethanol 112.68
    isobutyl acetate 0.39
    tetrachloromethane 0.31
    n-pentyl acetate 0.72
    transcutol 18.21
    n-heptanol 1.26
    ethylbenzene 0.41
    MIBK 1.31
    2-propoxyethanol 15.61
    tert-butanol 4.73
    MTBE 0.98
    2-butoxyethanol 7.81
    propionic acid 9.01
    o-xylene 0.79
    formic acid 359.55
    diethyl ether 1.53
    m-xylene 0.46
    p-xylene 0.46
    chlorobenzene 0.22
    dimethyl carbonate 9.59
    n-octane 0.15
    formamide 267.94
    cyclopentanone 13.41
    2-pentanone 2.41
    anisole 1.28
    cyclopentyl methyl ether 3.8
    gamma-butyrolactone 23.51
    1-methoxy-2-propanol 36.44
    pyridine 4.47
    3-pentanone 2.13
    furfural 28.66
    n-dodecane 0.08
    diethylene glycol 43.47
    diisopropyl ether 0.35
    tert-amyl alcohol 3.19
    acetylacetone 6.09
    n-hexadecane 0.09
    acetophenone 2.3
    methyl propionate 4.27
    isopentyl acetate 0.67
    trichloroethylene 1.53
    n-nonanol 1.06
    cyclohexanol 3.03
    benzyl alcohol 2.8
    2-ethylhexanol 0.69
    isooctanol 0.77
    dipropyl ether 1.54
    1,2-dichlorobenzene 0.32
    ethyl lactate 4.71
    propylene carbonate 7.38
    n-methylformamide 110.73
    2-pentanol 1.28
    n-pentane 0.21
    1-propoxy-2-propanol 6.7
    1-methoxy-2-propyl acetate 3.13
    2-(2-methoxypropoxy) propanol 8.56
    mesitylene 0.36
    ε-caprolactone 6.88
    p-cymene 0.31
    epichlorohydrin 9.23
    1,1,1-trichloroethane 0.3
    2-aminoethanol 61.33
    morpholine-4-carbaldehyde 104.63
    sulfolane 85.75
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 4.07
    n-hexyl acetate 0.93
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 11.37
    sec-butyl acetate 0.49
    tert-butyl acetate 1.2
    decalin 0.14
    glycerin 141.81
    diglyme 21.55
    acrylic acid 16.89
    isopropyl myristate 0.43
    n-butyric acid 5.01
    acetyl acetate 1.48
    di(2-ethylhexyl) phthalate 1.09
    ethyl propionate 1.27
    nitromethane 52.41
    1,2-diethoxyethane 2.09
    benzonitrile 0.94
    trioctyl phosphate 0.95
    1-bromopropane 0.41
    gamma-valerolactone 48.06
    n-decanol 0.8
    triethyl phosphate 1.55
    4-methyl-2-pentanol 0.67
    propionitrile 1.32
    vinylene carbonate 7.3
    1,1,2-trichlorotrifluoroethane 30.75
    DMS 1.82
    cumene 0.3
    2-octanol 0.62
    2-hexanone 1.28
    octyl acetate 0.73
    limonene 0.49
    1,2-dimethoxyethane 30.76
    ethyl orthosilicate 1.28
    tributyl phosphate 0.88
    diacetone alcohol 7.08
    N,N-dimethylaniline 1.98
    acrylonitrile 3.17
    aniline 1.72
    1,3-propanediol 40.29
    bromobenzene 0.15
    dibromomethane 0.5
    1,1,2,2-tetrachloroethane 1.74
    2-methyl-cyclohexyl acetate 1.13
    tetrabutyl urea 2.39
    diisobutyl methanol 0.47
    2-phenylethanol 1.65
    styrene 0.35
    dioctyl adipate 1.15
    dimethyl sulfate 30.5
    ethyl butyrate 1.19
    methyl lactate 20.3
    butyl lactate 2.29
    diethyl carbonate 0.96
    propanediol butyl ether 8.7
    triethyl orthoformate 1.55
    p-tert-butyltoluene 0.31
    methyl 4-tert-butylbenzoate 3.19
    morpholine 20.22
    tert-butylamine 1.34
    n-dodecanol 0.6
    dimethoxymethane 48.87
    ethylene carbonate 5.17
    cyrene 23.82
    2-ethoxyethyl acetate 1.68
    2-ethylhexyl acetate 0.53
    1,2,4-trichlorobenzene 0.51
    4-methylpyridine 2.85
    dibutyl ether 0.66
    2,6-dimethyl-4-heptanol 0.47
    DEF 14.8
    dimethyl isosorbide 12.8
    tetrachloroethylene 1.87
    eugenol 4.58
    triacetin 2.31
    span 80 5.8
    1,4-butanediol 15.63
    1,1-dichloroethane 0.35
    2-methyl-1-pentanol 1.13
    methyl formate 73.15
    2-methyl-1-butanol 1.84
    n-decane 0.15
    butyronitrile 0.9
    3,7-dimethyl-1-octanol 0.57
    1-chlorooctane 0.27
    1-chlorotetradecane 0.13
    n-nonane 0.16
    undecane 0.11
    tert-butylcyclohexane 0.07
    cyclooctane 0.18
    cyclopentanol 5.3
    tetrahydropyran 3.38
    tert-amyl methyl ether 1.28
    2,5,8-trioxanonane 17.89
    1-hexene 0.4
    2-isopropoxyethanol 9.63
    2,2,2-trifluoroethanol 32.13
    methyl butyrate 2.2

    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