alpha-D-Glucopyranose, 4-o-[2,3,4,6-tetrakis-O-(1-oxononyl)-beta-D-glucopyranosyl]-, tetranonanoate

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  • Identifiers

    CAS number
    172585-66-9

    Molecular formula
    C84H150O19

    SMILES
    CCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)CCCCCCCC)OC(=O)CCCCCCCC)OC(=O)CCCCCCCC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCC)OC(=O)CCCCCCCC)OC(=O)CCCCCCCC)OC(=O)CCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 48.61%
    Oily 48.59%
    Odorless 40.42%
    Waxy 38.5%
    Peach 32.66%
    Lactonic 32.27%
    Buttery 28.53%
    Milky 26.38%
    Creamy 23.65%
    Fruity 23.53%

     

    Flavor
    Waxy 44.87%
    Oily 40.89%
    Fatty 40.73%
    Bland 36.41%
    Mild 35.33%
    Odorless 28.43%
    Creamy 25.67%
    Faint 23.85%
    Soapy 23.2%
    Bay oil 22.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    27.6

    pKa est.
    8.24 (weak base)

    Molecular weight
    1464.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    610°C

    Flash point

    • 154.17 ˚C est.

  • Synonyms

    • DTXSID901021478
    • 172585-66-9
    • alpha-D-Glucopyranose, 4-o-[2,3,4,6-tetrakis-O-(1-oxononyl)-beta-D-glucopyranosyl]-, tetranonanoate
    • 172585-66-9

  • Applications

    alpha-D-Glucopyranose, 4-o-[2,3,4,6-tetrakis-O-(1-oxononyl)-beta-D-glucopyranosyl]-, tetranonanoate (CAS 172585-66-9) is a sugar ester bearing multiple long-chain nonanoate groups, typically functioning as a nonionic surfactant. It is commonly evaluated as an emulsifier and solubilizer in cosmetic and personal-care formulations, as a component in household cleaners and detergents, and as a processing aid, stabilizer, or compatibilizer in polymer and coating systems. It may also serve as a specialty plasticizer or formulation additive for certain plastics, and can be used as an agricultural adjuvant to improve spray wetting and dispersion of active ingredients, all subject to applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.07
    methanol 54.98
    isopropanol 31.15
    water 4.4
    ethyl acetate 174.32
    n-propanol 46.85
    acetone 172.44
    n-butanol 33.58
    acetonitrile 85.94
    DMF 287.01
    toluene 63.52
    isobutanol 35.05
    1,4-dioxane 113.62
    methyl acetate 214.5
    THF 202.44
    2-butanone 184.7
    n-pentanol 36.96
    sec-butanol 46.03
    n-hexane 4.71
    ethylene glycol 20.51
    NMP 789.95
    cyclohexane 7.13
    DMSO 317.34
    n-butyl acetate 81.57
    n-octanol 21.45
    chloroform 306.59
    n-propyl acetate 112.77
    acetic acid 387.75
    dichloromethane 321.02
    cyclohexanone 265.94
    propylene glycol 34.24
    isopropyl acetate 107.51
    DMAc 633.61
    2-ethoxyethanol 99.49
    isopentanol 27.42
    n-heptane 3.14
    ethyl formate 119.17
    1,2-dichloroethane 181.67
    n-hexanol 19.27
    2-methoxyethanol 106.14
    isobutyl acetate 58.44
    tetrachloromethane 78.79
    n-pentyl acetate 110.46
    transcutol 185.74
    n-heptanol 21.6
    ethylbenzene 30.23
    MIBK 60.26
    2-propoxyethanol 71.33
    tert-butanol 34.38
    MTBE 42.76
    2-butoxyethanol 74.13
    propionic acid 213.6
    o-xylene 55.8
    formic acid 166.02
    diethyl ether 43.25
    m-xylene 41.28
    p-xylene 48.53
    chlorobenzene 104.73
    dimethyl carbonate 187.37
    n-octane 2.31
    formamide 203.26
    cyclopentanone 355.79
    2-pentanone 117.28
    anisole 55.25
    cyclopentyl methyl ether 103.53
    gamma-butyrolactone 591.9
    1-methoxy-2-propanol 87.73
    pyridine 182.85
    3-pentanone 143.21
    furfural 427.31
    n-dodecane 1.68
    diethylene glycol 56.2
    diisopropyl ether 16.18
    tert-amyl alcohol 52.12
    acetylacetone 261.83
    n-hexadecane 1.94
    acetophenone 122.63
    methyl propionate 203.89
    isopentyl acetate 64.0
    trichloroethylene 440.45
    n-nonanol 22.14
    cyclohexanol 57.4
    benzyl alcohol 67.56
    2-ethylhexanol 16.28
    isooctanol 17.56
    dipropyl ether 26.6
    1,2-dichlorobenzene 121.73
    ethyl lactate 87.51
    propylene carbonate 329.04
    n-methylformamide 188.15
    2-pentanol 27.59
    n-pentane 3.9
    1-propoxy-2-propanol 55.8
    1-methoxy-2-propyl acetate 110.63
    2-(2-methoxypropoxy) propanol 82.73
    mesitylene 23.8
    ε-caprolactone 318.47
    p-cymene 18.23
    epichlorohydrin 327.22
    1,1,1-trichloroethane 239.7
    2-aminoethanol 41.2
    morpholine-4-carbaldehyde 373.11
    sulfolane 808.23
    2,2,4-trimethylpentane 3.49
    2-methyltetrahydrofuran 147.43
    n-hexyl acetate 92.31
    isooctane 1.34
    2-(2-butoxyethoxy)ethanol 80.44
    sec-butyl acetate 76.74
    tert-butyl acetate 92.08
    decalin 5.14
    glycerin 65.88
    diglyme 175.24
    acrylic acid 256.98
    isopropyl myristate 28.32
    n-butyric acid 176.37
    acetyl acetate 226.65
    di(2-ethylhexyl) phthalate 48.77
    ethyl propionate 111.43
    nitromethane 586.81
    1,2-diethoxyethane 70.38
    benzonitrile 82.48
    trioctyl phosphate 30.67
    1-bromopropane 74.3
    gamma-valerolactone 483.37
    n-decanol 14.8
    triethyl phosphate 59.82
    4-methyl-2-pentanol 15.39
    propionitrile 73.0
    vinylene carbonate 328.23
    1,1,2-trichlorotrifluoroethane 375.64
    DMS 162.39
    cumene 20.93
    2-octanol 18.34
    2-hexanone 91.09
    octyl acetate 45.01
    limonene 22.8
    1,2-dimethoxyethane 119.89
    ethyl orthosilicate 47.48
    tributyl phosphate 41.19
    diacetone alcohol 103.59
    N,N-dimethylaniline 47.84
    acrylonitrile 114.75
    aniline 82.32
    1,3-propanediol 49.22
    bromobenzene 108.19
    dibromomethane 176.27
    1,1,2,2-tetrachloroethane 330.48
    2-methyl-cyclohexyl acetate 63.03
    tetrabutyl urea 56.77
    diisobutyl methanol 9.63
    2-phenylethanol 41.45
    styrene 36.62
    dioctyl adipate 62.13
    dimethyl sulfate 425.71
    ethyl butyrate 73.23
    methyl lactate 151.61
    butyl lactate 92.4
    diethyl carbonate 61.97
    propanediol butyl ether 61.95
    triethyl orthoformate 56.41
    p-tert-butyltoluene 16.92
    methyl 4-tert-butylbenzoate 122.94
    morpholine 131.07
    tert-butylamine 15.71
    n-dodecanol 10.13
    dimethoxymethane 138.97
    ethylene carbonate 248.64
    cyrene 147.69
    2-ethoxyethyl acetate 176.49
    2-ethylhexyl acetate 55.71
    1,2,4-trichlorobenzene 181.1
    4-methylpyridine 166.62
    dibutyl ether 26.64
    2,6-dimethyl-4-heptanol 9.63
    DEF 187.64
    dimethyl isosorbide 133.41
    tetrachloroethylene 228.95
    eugenol 89.28
    triacetin 220.68
    span 80 71.6
    1,4-butanediol 35.5
    1,1-dichloroethane 176.9
    2-methyl-1-pentanol 35.57
    methyl formate 190.68
    2-methyl-1-butanol 36.84
    n-decane 3.28
    butyronitrile 47.02
    3,7-dimethyl-1-octanol 17.81
    1-chlorooctane 17.89
    1-chlorotetradecane 6.3
    n-nonane 2.89
    undecane 2.23
    tert-butylcyclohexane 3.69
    cyclooctane 3.34
    cyclopentanol 82.26
    tetrahydropyran 90.3
    tert-amyl methyl ether 50.14
    2,5,8-trioxanonane 114.93
    1-hexene 16.39
    2-isopropoxyethanol 70.92
    2,2,2-trifluoroethanol 283.98
    methyl butyrate 142.24

    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