[5,6-Bis(2,3-dihydroxypropoxy)-3,4,4,5,6-pentakis(2,3-dihydroxypropyl)-8,9-dihydroxy-2-octadecanoyloxynonyl] octadecanoate

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  • Identifiers

    CAS number
    12764-60-2

    Molecular formula
    C66H130O22

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCC(C(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(CC(CO)O)(C(CC(CO)O)(CC(CO)O)OCC(CO)O)OCC(CO)O)OC(=O)CCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 48.82%
    Waxy 36.52%
    Oily 34.57%
    Fatty 28.64%
    Alcoholic 26.78%
    Sweet 21.71%
    Fresh 21.41%
    Lactonic 19.87%
    Milky 19.41%
    Clean 18.93%

     

    Flavor
    Odorless 46.86%
    Bland 37.95%
    Mild 34.54%
    Bitter 28.17%
    Waxy 26.34%
    Sweet-like 26.06%
    Fatty 23.65%
    Sweet 21.69%
    Slightly waxy 20.51%
    Bay oil 20.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    -171.29 (strong acid)

    Molecular weight
    1275.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    6476°C

    Flash point

    • -769.82 ˚C est.

  • Synonyms

    • 12764-60-2
    • [5,6-bis(2,3-dihydroxypropoxy)-3,4,4,5,6-pentakis(2,3-dihydroxypropyl)-8,9-dihydroxy-2-octadecanoyloxynonyl] octadecanoate
    • SCHEMBL29362667
    • IZQCRASWMKZRIV-UHFFFAOYSA-N
    • 12764-60-2

  • Applications

    [5,6-Bis(2,3-dihydroxypropoxy)-3,4,4,5,6-pentakis(2,3-dihydroxypropyl)-8,9-dihydroxy-2-octadecanoyloxynonyl] octadecanoate (CAS 12764-60-2) is a polyglycerol ester of fatty acids, typically functioning as a nonionic surfactant and emulsifier. In real-world applications, it is commonly evaluated for use across sectors such as cosmetics/personal care (emulsification, conditioning, and stabilization of creams and cleansers); household products and cleaning formulations (surfactant and dispersant for detergents and surface cleaners); polymers and plastics processing (emulsification and stabilization of polymer blends and latexes); coatings and inks (dispersant and stabilizer for pigments and colorants); and pharmaceutical excipients (solubilizer or carrier to improve blending and release, subject to regulatory limits).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.18
    methanol 56.39
    isopropanol 9.51
    water 4.23
    ethyl acetate 10.75
    n-propanol 14.94
    acetone 24.25
    n-butanol 7.49
    acetonitrile 7.05
    DMF 152.43
    toluene 3.45
    isobutanol 6.62
    1,4-dioxane 24.73
    methyl acetate 15.28
    THF 45.54
    2-butanone 16.22
    n-pentanol 6.7
    sec-butanol 7.9
    n-hexane 0.38
    ethylene glycol 23.47
    NMP 195.82
    cyclohexane 0.73
    DMSO 159.87
    n-butyl acetate 6.22
    n-octanol 5.07
    chloroform 11.16
    n-propyl acetate 7.72
    acetic acid 95.9
    dichloromethane 11.61
    cyclohexanone 29.01
    propylene glycol 31.03
    isopropyl acetate 7.39
    DMAc 170.65
    2-ethoxyethanol 36.27
    isopentanol 4.16
    n-heptane 0.45
    ethyl formate 14.0
    1,2-dichloroethane 8.65
    n-hexanol 3.86
    2-methoxyethanol 62.53
    isobutyl acetate 3.79
    tetrachloromethane 2.87
    n-pentyl acetate 10.73
    transcutol 61.0
    n-heptanol 5.57
    ethylbenzene 1.98
    MIBK 5.69
    2-propoxyethanol 24.78
    tert-butanol 7.34
    MTBE 4.54
    2-butoxyethanol 25.11
    propionic acid 30.91
    o-xylene 3.31
    formic acid 102.66
    diethyl ether 5.57
    m-xylene 2.42
    p-xylene 2.18
    chlorobenzene 3.2
    dimethyl carbonate 24.39
    n-octane 0.33
    formamide 86.3
    cyclopentanone 46.87
    2-pentanone 11.41
    anisole 5.23
    cyclopentyl methyl ether 13.12
    gamma-butyrolactone 67.98
    1-methoxy-2-propanol 44.26
    pyridine 19.18
    3-pentanone 10.44
    furfural 56.4
    n-dodecane 0.2
    diethylene glycol 29.34
    diisopropyl ether 1.28
    tert-amyl alcohol 7.11
    acetylacetone 26.22
    n-hexadecane 0.22
    acetophenone 11.27
    methyl propionate 18.69
    isopentyl acetate 4.76
    trichloroethylene 19.32
    n-nonanol 5.03
    cyclohexanol 7.98
    benzyl alcohol 9.59
    2-ethylhexanol 2.11
    isooctanol 3.55
    dipropyl ether 4.28
    1,2-dichlorobenzene 3.53
    ethyl lactate 15.3
    propylene carbonate 30.12
    n-methylformamide 69.41
    2-pentanol 4.29
    n-pentane 0.44
    1-propoxy-2-propanol 17.62
    1-methoxy-2-propyl acetate 17.52
    2-(2-methoxypropoxy) propanol 20.4
    mesitylene 1.33
    ε-caprolactone 34.66
    p-cymene 1.47
    epichlorohydrin 35.49
    1,1,1-trichloroethane 5.84
    2-aminoethanol 33.68
    morpholine-4-carbaldehyde 127.21
    sulfolane 150.17
    2,2,4-trimethylpentane 0.27
    2-methyltetrahydrofuran 16.68
    n-hexyl acetate 10.1
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 27.23
    sec-butyl acetate 4.77
    tert-butyl acetate 7.71
    decalin 0.36
    glycerin 63.35
    diglyme 44.92
    acrylic acid 47.3
    isopropyl myristate 2.87
    n-butyric acid 22.51
    acetyl acetate 12.45
    di(2-ethylhexyl) phthalate 5.39
    ethyl propionate 7.52
    nitromethane 93.09
    1,2-diethoxyethane 10.48
    benzonitrile 5.9
    trioctyl phosphate 4.43
    1-bromopropane 3.23
    gamma-valerolactone 105.98
    n-decanol 3.05
    triethyl phosphate 5.63
    4-methyl-2-pentanol 2.11
    propionitrile 5.82
    vinylene carbonate 29.91
    1,1,2-trichlorotrifluoroethane 75.28
    DMS 13.8
    cumene 1.33
    2-octanol 3.49
    2-hexanone 7.84
    octyl acetate 5.42
    limonene 2.24
    1,2-dimethoxyethane 31.78
    ethyl orthosilicate 4.72
    tributyl phosphate 4.43
    diacetone alcohol 20.81
    N,N-dimethylaniline 5.88
    acrylonitrile 11.33
    aniline 7.73
    1,3-propanediol 26.71
    bromobenzene 2.5
    dibromomethane 6.21
    1,1,2,2-tetrachloroethane 16.66
    2-methyl-cyclohexyl acetate 6.15
    tetrabutyl urea 8.08
    diisobutyl methanol 1.27
    2-phenylethanol 6.43
    styrene 2.12
    dioctyl adipate 7.2
    dimethyl sulfate 66.35
    ethyl butyrate 6.25
    methyl lactate 40.21
    butyl lactate 19.5
    diethyl carbonate 4.51
    propanediol butyl ether 31.38
    triethyl orthoformate 6.62
    p-tert-butyltoluene 1.56
    methyl 4-tert-butylbenzoate 17.86
    morpholine 38.84
    tert-butylamine 2.72
    n-dodecanol 1.93
    dimethoxymethane 51.12
    ethylene carbonate 21.48
    cyrene 40.42
    2-ethoxyethyl acetate 20.98
    2-ethylhexyl acetate 3.77
    1,2,4-trichlorobenzene 6.43
    4-methylpyridine 13.03
    dibutyl ether 3.08
    2,6-dimethyl-4-heptanol 1.27
    DEF 28.85
    dimethyl isosorbide 31.64
    tetrachloroethylene 12.88
    eugenol 17.54
    triacetin 24.61
    span 80 22.11
    1,4-butanediol 14.11
    1,1-dichloroethane 5.92
    2-methyl-1-pentanol 4.13
    methyl formate 51.64
    2-methyl-1-butanol 5.35
    n-decane 0.42
    butyronitrile 4.36
    3,7-dimethyl-1-octanol 2.59
    1-chlorooctane 1.75
    1-chlorotetradecane 0.61
    n-nonane 0.38
    undecane 0.27
    tert-butylcyclohexane 0.27
    cyclooctane 0.33
    cyclopentanol 14.24
    tetrahydropyran 13.53
    tert-amyl methyl ether 5.22
    2,5,8-trioxanonane 29.91
    1-hexene 1.25
    2-isopropoxyethanol 17.08
    2,2,2-trifluoroethanol 52.89
    methyl butyrate 10.8

    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