Raffinose undecaacetate

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  • Identifiers

    CAS number
    6424-12-0

    Molecular formula
    C40H54O27

    SMILES
    CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)COC(=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 77.21%
    Alcoholic 20.79%
    Clean 20.11%
    Ethereal 17.79%
    Winey 17.45%
    Milky 16.51%
    Creamy 16.24%
    Sour 15.54%
    Cooked 14.42%
    Buttery 13.99%

     

    Flavor
    Bitter 60.76%
    Fruity 56.68%
    Odorless 35.47%
    Mild 35.24%
    Tropical 24.47%
    Very mild 22.93%
    Creamy 22.47%
    Sweet-like 22.39%
    Grape 22.05%
    Marshmallow 22.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    -2.23 (strong acid)

    Molecular weight
    966.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    439°C

    Flash point

    • 158.76 ˚C est.

  • Synonyms

    • Raffinose undecaacetate
    • 6424-12-0
    • D-Raffinoseundecaacetate
    • EINECS 229-181-6
    • 1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-O-2,3,4,6-tetra-O-acetyl-alpha-D-galactopyranosyl-(1.6)-alpha-D-glucopyranoside triacetate
    • 6462-12-0
    • [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
    • SCHEMBL29526054
    • DTXSID30982784
    • DB-054632
    • NS00126901
    • [3,4,5-triacetoxy-6-[[3,4,5-triacetoxy-6-[3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-yl]methyl acetate
    • 1,3,4,6-Tetra-O-acetylhex-2-ulofuranosyl 2,3,4,6-tetra-O-acetylhexopyranosyl-(1->6)-2,3,4-tri-O-acetylhexopyranoside
    • 6424-12-0

  • Applications

    Raffinose undecaacetate (CAS 6424-12-0) is primarily used as a protected sugar building block in carbohydrate chemistry, enabling selective reactions and subsequent deprotection to access raffinose-type units. In industrial and R&D contexts, it serves as a precursor for oligosaccharide and glycoconjugate derivatives relevant to pharmaceutical and biochemical research. Its acetylated sugar character also lends potential as a plasticizer or compatibility additive in biobased polymer formulations, coatings, and adhesive systems. Additionally, Raffinose undecaacetate can act as a reagent or starting material for exploratory work in carbohydrate-derived materials and glycosylated compounds, supporting development of new materials and chemistries based on sugar esters.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.74
    methanol 142.97
    isopropanol 47.09
    water 1.71
    ethyl acetate 179.77
    n-propanol 58.46
    acetone 308.6
    n-butanol 35.29
    acetonitrile 133.46
    DMF 892.06
    toluene 16.44
    isobutanol 31.26
    1,4-dioxane 274.17
    methyl acetate 294.53
    THF 472.05
    2-butanone 215.07
    n-pentanol 24.38
    sec-butanol 41.42
    n-hexane 1.26
    ethylene glycol 35.82
    NMP 1479.61
    cyclohexane 1.74
    DMSO 1301.09
    n-butyl acetate 77.24
    n-octanol 11.79
    chloroform 282.04
    n-propyl acetate 116.62
    acetic acid 587.36
    dichloromethane 346.51
    cyclohexanone 255.07
    propylene glycol 43.64
    isopropyl acetate 82.59
    DMAc 1392.32
    2-ethoxyethanol 204.18
    isopentanol 20.86
    n-heptane 0.73
    ethyl formate 227.01
    1,2-dichloroethane 181.74
    n-hexanol 10.45
    2-methoxyethanol 356.19
    isobutyl acetate 45.53
    tetrachloromethane 26.44
    n-pentyl acetate 50.6
    transcutol 251.05
    n-heptanol 9.25
    ethylbenzene 8.22
    MIBK 35.76
    2-propoxyethanol 132.1
    tert-butanol 34.46
    MTBE 37.67
    2-butoxyethanol 84.86
    propionic acid 201.14
    o-xylene 10.2
    formic acid 366.75
    diethyl ether 56.26
    m-xylene 5.73
    p-xylene 12.62
    chlorobenzene 46.71
    dimethyl carbonate 199.38
    n-octane 0.44
    formamide 491.7
    cyclopentanone 457.84
    2-pentanone 107.58
    anisole 53.26
    cyclopentyl methyl ether 75.07
    gamma-butyrolactone 866.26
    1-methoxy-2-propanol 170.58
    pyridine 243.05
    3-pentanone 95.97
    furfural 753.32
    n-dodecane 0.45
    diethylene glycol 106.64
    diisopropyl ether 7.15
    tert-amyl alcohol 34.48
    acetylacetone 232.04
    n-hexadecane 0.51
    acetophenone 91.45
    methyl propionate 196.16
    isopentyl acetate 50.38
    trichloroethylene 442.39
    n-nonanol 12.46
    cyclohexanol 30.83
    benzyl alcohol 48.5
    2-ethylhexanol 7.24
    isooctanol 7.01
    dipropyl ether 24.04
    1,2-dichlorobenzene 51.63
    ethyl lactate 85.8
    propylene carbonate 398.47
    n-methylformamide 469.6
    2-pentanol 16.51
    n-pentane 1.2
    1-propoxy-2-propanol 78.84
    1-methoxy-2-propyl acetate 116.31
    2-(2-methoxypropoxy) propanol 102.2
    mesitylene 2.66
    ε-caprolactone 339.26
    p-cymene 4.19
    epichlorohydrin 631.09
    1,1,1-trichloroethane 118.67
    2-aminoethanol 65.71
    morpholine-4-carbaldehyde 956.35
    sulfolane 1289.54
    2,2,4-trimethylpentane 0.58
    2-methyltetrahydrofuran 200.22
    n-hexyl acetate 60.81
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 118.6
    sec-butyl acetate 55.44
    tert-butyl acetate 56.3
    decalin 1.02
    glycerin 113.75
    diglyme 305.39
    acrylic acid 260.03
    isopropyl myristate 17.63
    n-butyric acid 169.83
    acetyl acetate 175.86
    di(2-ethylhexyl) phthalate 28.86
    ethyl propionate 114.04
    nitromethane 1449.44
    1,2-diethoxyethane 76.54
    benzonitrile 55.73
    trioctyl phosphate 17.63
    1-bromopropane 50.35
    gamma-valerolactone 1021.18
    n-decanol 8.37
    triethyl phosphate 57.1
    4-methyl-2-pentanol 5.89
    propionitrile 69.82
    vinylene carbonate 400.6
    1,1,2-trichlorotrifluoroethane 596.38
    DMS 96.73
    cumene 4.73
    2-octanol 6.25
    2-hexanone 80.41
    octyl acetate 32.61
    limonene 6.33
    1,2-dimethoxyethane 378.76
    ethyl orthosilicate 40.03
    tributyl phosphate 29.0
    diacetone alcohol 77.26
    N,N-dimethylaniline 32.88
    acrylonitrile 134.11
    aniline 46.27
    1,3-propanediol 93.42
    bromobenzene 39.21
    dibromomethane 144.11
    1,1,2,2-tetrachloroethane 295.61
    2-methyl-cyclohexyl acetate 48.57
    tetrabutyl urea 46.29
    diisobutyl methanol 3.23
    2-phenylethanol 26.67
    styrene 11.8
    dioctyl adipate 51.52
    dimethyl sulfate 536.79
    ethyl butyrate 75.04
    methyl lactate 160.09
    butyl lactate 52.2
    diethyl carbonate 70.08
    propanediol butyl ether 58.01
    triethyl orthoformate 65.55
    p-tert-butyltoluene 3.54
    methyl 4-tert-butylbenzoate 65.33
    morpholine 325.66
    tert-butylamine 11.55
    n-dodecanol 5.81
    dimethoxymethane 316.96
    ethylene carbonate 280.51
    cyrene 183.37
    2-ethoxyethyl acetate 116.22
    2-ethylhexyl acetate 37.67
    1,2,4-trichlorobenzene 85.71
    4-methylpyridine 178.6
    dibutyl ether 19.85
    2,6-dimethyl-4-heptanol 3.23
    DEF 237.82
    dimethyl isosorbide 177.63
    tetrachloroethylene 160.2
    eugenol 57.01
    triacetin 133.05
    span 80 64.03
    1,4-butanediol 35.0
    1,1-dichloroethane 126.25
    2-methyl-1-pentanol 18.0
    methyl formate 462.89
    2-methyl-1-butanol 25.98
    n-decane 0.81
    butyronitrile 52.81
    3,7-dimethyl-1-octanol 7.86
    1-chlorooctane 6.27
    1-chlorotetradecane 2.35
    n-nonane 0.66
    undecane 0.58
    tert-butylcyclohexane 0.66
    cyclooctane 0.41
    cyclopentanol 67.97
    tetrahydropyran 120.16
    tert-amyl methyl ether 31.08
    2,5,8-trioxanonane 196.44
    1-hexene 6.43
    2-isopropoxyethanol 100.11
    2,2,2-trifluoroethanol 330.56
    methyl butyrate 160.57

    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