Rutinose heptaacetate

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  • Identifiers

    CAS number
    29202-64-0

    Molecular formula
    C26H36O17

    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(O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 78.7%
    Clean 19.05%
    Alcoholic 17.99%
    Milky 16.81%
    Ethereal 15.92%
    Sour 15.75%
    Creamy 15.54%
    Cooked 15.36%
    Winey 14.9%
    Burnt 14.19%

     

    Flavor
    Fruity 58.12%
    Bitter 51.9%
    Odorless 34.63%
    Mild 31.91%
    Tropical 26.12%
    Very mild 22.99%
    Creamy 22.73%
    Sweet 21.91%
    Toffee 21.91%
    Sweet-like 21.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    0.77 (strong acid)

    Molecular weight
    620.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    407°C

    Flash point

    • 191.96 ˚C est.

  • Synonyms

    • RUTINOSE HEPTAACETATE
    • 29202-64-0
    • Hepta-O-acetylrutinose
    • Hepta-O-acetyl Rutinose
    • [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-3-yl] acetate
    • 1,2,3,4-tetraacetate-6-O-(2,3,4-tri-O-acetyl-6-deoxy-a-L-mannopyrasonyl)-D-glucopyranose; Heptaacetylrutinose
    • orb2939433
    • LUCVIXHBPBCYCD-QLANJSEWSA-N
    • HY-W145685
    • CS-0226127
    • H0628
    • 29202-64-0

  • Applications

    Rutinose heptaacetate is a peracetylated rutinose that mainly serves as a protecting group and a synthetic intermediate in carbohydrate chemistry. In pharmaceutical and chemical synthesis contexts, it is commonly employed as an intermediate for controlled glycosylation reactions, enabling the attachment of sugar units to natural products or flavonoid glycosides. It also functions as a precursor for the synthesis of glycoside derivatives and complex carbohydrate-containing structures that support SAR studies and the development of synthetic routes. Owing to its acetyl-protected status, it participates in protection/deprotection sequences in carbohydrate chemistry, or can be deacetylated to release rutinose when needed. Additionally, it can be used as a building block for polymer systems bearing sugar moieties in the broader area of polymer chemistry and materials development, subject to formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.29
    methanol 64.47
    isopropanol 21.69
    water 1.23
    ethyl acetate 66.82
    n-propanol 28.33
    acetone 126.4
    n-butanol 16.72
    acetonitrile 56.56
    DMF 341.46
    toluene 6.0
    isobutanol 14.32
    1,4-dioxane 98.23
    methyl acetate 114.96
    THF 190.23
    2-butanone 94.18
    n-pentanol 11.38
    sec-butanol 19.15
    n-hexane 0.65
    ethylene glycol 15.79
    NMP 612.22
    cyclohexane 0.74
    DMSO 564.29
    n-butyl acetate 28.49
    n-octanol 5.01
    chloroform 93.5
    n-propyl acetate 42.34
    acetic acid 235.42
    dichloromethane 128.2
    cyclohexanone 97.64
    propylene glycol 19.15
    isopropyl acetate 27.34
    DMAc 594.52
    2-ethoxyethanol 83.86
    isopentanol 9.37
    n-heptane 0.34
    ethyl formate 88.24
    1,2-dichloroethane 72.44
    n-hexanol 4.68
    2-methoxyethanol 146.82
    isobutyl acetate 15.32
    tetrachloromethane 9.68
    n-pentyl acetate 17.77
    transcutol 104.62
    n-heptanol 4.01
    ethylbenzene 3.57
    MIBK 13.1
    2-propoxyethanol 52.93
    tert-butanol 15.09
    MTBE 15.77
    2-butoxyethanol 33.57
    propionic acid 86.7
    o-xylene 4.18
    formic acid 150.19
    diethyl ether 23.12
    m-xylene 2.1
    p-xylene 5.43
    chlorobenzene 16.13
    dimethyl carbonate 66.03
    n-octane 0.21
    formamide 196.22
    cyclopentanone 182.36
    2-pentanone 43.15
    anisole 20.78
    cyclopentyl methyl ether 30.71
    gamma-butyrolactone 336.03
    1-methoxy-2-propanol 68.0
    pyridine 92.07
    3-pentanone 40.3
    furfural 250.79
    n-dodecane 0.2
    diethylene glycol 40.18
    diisopropyl ether 2.51
    tert-amyl alcohol 16.55
    acetylacetone 75.28
    n-hexadecane 0.22
    acetophenone 34.42
    methyl propionate 76.98
    isopentyl acetate 19.92
    trichloroethylene 152.21
    n-nonanol 5.13
    cyclohexanol 12.93
    benzyl alcohol 19.9
    2-ethylhexanol 3.3
    isooctanol 2.89
    dipropyl ether 10.33
    1,2-dichlorobenzene 17.06
    ethyl lactate 29.83
    propylene carbonate 130.26
    n-methylformamide 177.79
    2-pentanol 6.98
    n-pentane 0.58
    1-propoxy-2-propanol 30.32
    1-methoxy-2-propyl acetate 37.46
    2-(2-methoxypropoxy) propanol 42.54
    mesitylene 1.01
    ε-caprolactone 133.07
    p-cymene 1.82
    epichlorohydrin 228.53
    1,1,1-trichloroethane 40.96
    2-aminoethanol 29.06
    morpholine-4-carbaldehyde 345.01
    sulfolane 513.79
    2,2,4-trimethylpentane 0.28
    2-methyltetrahydrofuran 83.47
    n-hexyl acetate 21.18
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 47.98
    sec-butyl acetate 19.37
    tert-butyl acetate 18.48
    decalin 0.48
    glycerin 47.89
    diglyme 116.09
    acrylic acid 105.46
    isopropyl myristate 6.27
    n-butyric acid 69.82
    acetyl acetate 48.75
    di(2-ethylhexyl) phthalate 12.49
    ethyl propionate 43.17
    nitromethane 505.82
    1,2-diethoxyethane 29.96
    benzonitrile 20.61
    trioctyl phosphate 6.94
    1-bromopropane 21.28
    gamma-valerolactone 353.37
    n-decanol 3.41
    triethyl phosphate 22.28
    4-methyl-2-pentanol 2.49
    propionitrile 28.95
    vinylene carbonate 123.52
    1,1,2-trichlorotrifluoroethane 203.94
    DMS 33.01
    cumene 2.16
    2-octanol 2.57
    2-hexanone 32.4
    octyl acetate 11.51
    limonene 2.63
    1,2-dimethoxyethane 155.78
    ethyl orthosilicate 16.83
    tributyl phosphate 11.87
    diacetone alcohol 29.5
    N,N-dimethylaniline 13.79
    acrylonitrile 50.24
    aniline 19.08
    1,3-propanediol 40.21
    bromobenzene 12.23
    dibromomethane 56.34
    1,1,2,2-tetrachloroethane 103.31
    2-methyl-cyclohexyl acetate 18.86
    tetrabutyl urea 19.43
    diisobutyl methanol 1.34
    2-phenylethanol 10.08
    styrene 4.73
    dioctyl adipate 19.67
    dimethyl sulfate 177.55
    ethyl butyrate 29.52
    methyl lactate 57.24
    butyl lactate 18.86
    diethyl carbonate 25.23
    propanediol butyl ether 23.2
    triethyl orthoformate 23.78
    p-tert-butyltoluene 1.5
    methyl 4-tert-butylbenzoate 26.23
    morpholine 125.31
    tert-butylamine 5.19
    n-dodecanol 2.34
    dimethoxymethane 126.41
    ethylene carbonate 90.66
    cyrene 70.23
    2-ethoxyethyl acetate 40.14
    2-ethylhexyl acetate 15.36
    1,2,4-trichlorobenzene 29.75
    4-methylpyridine 66.88
    dibutyl ether 8.52
    2,6-dimethyl-4-heptanol 1.34
    DEF 93.58
    dimethyl isosorbide 66.87
    tetrachloroethylene 58.19
    eugenol 21.3
    triacetin 43.11
    span 80 24.47
    1,4-butanediol 15.15
    1,1-dichloroethane 44.94
    2-methyl-1-pentanol 8.38
    methyl formate 170.8
    2-methyl-1-butanol 12.15
    n-decane 0.36
    butyronitrile 21.93
    3,7-dimethyl-1-octanol 3.26
    1-chlorooctane 2.65
    1-chlorotetradecane 0.98
    n-nonane 0.31
    undecane 0.26
    tert-butylcyclohexane 0.3
    cyclooctane 0.19
    cyclopentanol 28.29
    tetrahydropyran 46.25
    tert-amyl methyl ether 14.28
    2,5,8-trioxanonane 77.21
    1-hexene 3.18
    2-isopropoxyethanol 39.72
    2,2,2-trifluoroethanol 120.18
    methyl butyrate 61.17

    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