2,3-Dihydroxypropyl 2,2,3,3,4-pentakis(2,3-dihydroxypropyl)octadecanoate

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  • Identifiers

    CAS number
    95461-65-7

    Molecular formula
    C36H72O14

    SMILES
    CCCCCCCCCCCCCCC(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(=O)OCC(CO)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.9%
    Oily 31.72%
    Waxy 29.46%
    Sweet 25.94%
    Alcoholic 25.47%
    Fatty 24.08%
    Fresh 21.22%
    Milky 20.3%
    Lactonic 20.22%
    Cooling 20.19%

     

    Flavor
    Odorless 50.82%
    Bland 35.02%
    Mild 32.92%
    Bitter 30.78%
    Sweet 28.0%
    Sweet-like 27.09%
    Waxy 23.26%
    Slightly waxy 19.69%
    Sandalwood 19.68%
    Bay oil 19.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    4.71 (weak acid)

    Molecular weight
    728.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4378°C

    Flash point

    • 323.93 ˚C est.

  • Synonyms

    • 95461-65-7
    • 2,3-dihydroxypropyl 2,2,3,3,4-pentakis(2,3-dihydroxypropyl)octadecanoate
    • KDDUIJTXNGADSK-UHFFFAOYSA-N
    • 95461-65-7

  • Applications

    2,3-Dihydroxypropyl 2,2,3,3,4-pentakis(2,3-dihydroxypropyl)octadecanoate, CAS 95461-65-7, is a polyol ester derived from stearic acid that is commonly used as an emollient and thickener in cosmetics and personal care formulations, as a plasticizer and processing aid for polymers and coatings, and as a lubricant or flow modifier in industrial products; it may also function as an emulsifier or surfactant in household cleaners and similar formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.23
    methanol 69.45
    isopropanol 7.91
    water 14.19
    ethyl acetate 6.93
    n-propanol 13.08
    acetone 18.56
    n-butanol 6.49
    acetonitrile 5.16
    DMF 131.49
    toluene 1.88
    isobutanol 5.43
    1,4-dioxane 17.74
    methyl acetate 8.45
    THF 34.6
    2-butanone 10.35
    n-pentanol 5.2
    sec-butanol 5.92
    n-hexane 0.3
    ethylene glycol 34.82
    NMP 149.64
    cyclohexane 0.62
    DMSO 184.41
    n-butyl acetate 3.72
    n-octanol 4.02
    chloroform 4.22
    n-propyl acetate 4.37
    acetic acid 79.16
    dichloromethane 5.07
    cyclohexanone 18.67
    propylene glycol 36.38
    isopropyl acetate 4.7
    DMAc 119.19
    2-ethoxyethanol 32.25
    isopentanol 3.24
    n-heptane 0.38
    ethyl formate 10.11
    1,2-dichloroethane 4.57
    n-hexanol 3.4
    2-methoxyethanol 66.88
    isobutyl acetate 2.07
    tetrachloromethane 1.5
    n-pentyl acetate 5.93
    transcutol 46.98
    n-heptanol 4.69
    ethylbenzene 1.17
    MIBK 3.84
    2-propoxyethanol 22.32
    tert-butanol 5.38
    MTBE 2.8
    2-butoxyethanol 20.27
    propionic acid 22.04
    o-xylene 1.99
    formic acid 121.59
    diethyl ether 3.87
    m-xylene 1.4
    p-xylene 1.15
    chlorobenzene 1.43
    dimethyl carbonate 16.93
    n-octane 0.27
    formamide 94.97
    cyclopentanone 31.3
    2-pentanone 7.85
    anisole 3.12
    cyclopentyl methyl ether 9.61
    gamma-butyrolactone 43.18
    1-methoxy-2-propanol 40.32
    pyridine 11.09
    3-pentanone 6.89
    furfural 33.96
    n-dodecane 0.17
    diethylene glycol 32.23
    diisopropyl ether 0.93
    tert-amyl alcohol 5.1
    acetylacetone 17.18
    n-hexadecane 0.18
    acetophenone 6.34
    methyl propionate 12.77
    isopentyl acetate 2.82
    trichloroethylene 7.81
    n-nonanol 3.89
    cyclohexanol 6.08
    benzyl alcohol 6.43
    2-ethylhexanol 1.71
    isooctanol 2.77
    dipropyl ether 3.09
    1,2-dichlorobenzene 1.55
    ethyl lactate 10.36
    propylene carbonate 18.13
    n-methylformamide 60.82
    2-pentanol 3.32
    n-pentane 0.37
    1-propoxy-2-propanol 13.86
    1-methoxy-2-propyl acetate 11.88
    2-(2-methoxypropoxy) propanol 15.19
    mesitylene 0.84
    ε-caprolactone 21.61
    p-cymene 0.92
    epichlorohydrin 21.68
    1,1,1-trichloroethane 2.44
    2-aminoethanol 40.82
    morpholine-4-carbaldehyde 104.63
    sulfolane 111.75
    2,2,4-trimethylpentane 0.2
    2-methyltetrahydrofuran 11.12
    n-hexyl acetate 6.1
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 22.66
    sec-butyl acetate 2.58
    tert-butyl acetate 4.92
    decalin 0.28
    glycerin 76.52
    diglyme 33.55
    acrylic acid 32.57
    isopropyl myristate 1.76
    n-butyric acid 15.81
    acetyl acetate 7.33
    di(2-ethylhexyl) phthalate 3.54
    ethyl propionate 4.43
    nitromethane 66.65
    1,2-diethoxyethane 6.92
    benzonitrile 3.1
    trioctyl phosphate 3.08
    1-bromopropane 1.8
    gamma-valerolactone 74.14
    n-decanol 2.46
    triethyl phosphate 3.25
    4-methyl-2-pentanol 1.61
    propionitrile 3.62
    vinylene carbonate 17.14
    1,1,2-trichlorotrifluoroethane 49.12
    DMS 8.2
    cumene 0.82
    2-octanol 2.55
    2-hexanone 4.38
    octyl acetate 3.45
    limonene 1.51
    1,2-dimethoxyethane 23.03
    ethyl orthosilicate 2.87
    tributyl phosphate 2.9
    diacetone alcohol 14.68
    N,N-dimethylaniline 3.67
    acrylonitrile 6.8
    aniline 4.8
    1,3-propanediol 29.31
    bromobenzene 1.02
    dibromomethane 2.75
    1,1,2,2-tetrachloroethane 7.73
    2-methyl-cyclohexyl acetate 3.61
    tetrabutyl urea 5.41
    diisobutyl methanol 0.95
    2-phenylethanol 4.59
    styrene 1.18
    dioctyl adipate 4.41
    dimethyl sulfate 44.05
    ethyl butyrate 3.55
    methyl lactate 31.23
    butyl lactate 12.47
    diethyl carbonate 2.53
    propanediol butyl ether 27.38
    triethyl orthoformate 3.95
    p-tert-butyltoluene 0.99
    methyl 4-tert-butylbenzoate 11.04
    morpholine 29.89
    tert-butylamine 2.11
    n-dodecanol 1.59
    dimethoxymethane 43.73
    ethylene carbonate 12.69
    cyrene 30.6
    2-ethoxyethyl acetate 11.98
    2-ethylhexyl acetate 2.21
    1,2,4-trichlorobenzene 2.77
    4-methylpyridine 6.72
    dibutyl ether 1.9
    2,6-dimethyl-4-heptanol 0.95
    DEF 19.74
    dimethyl isosorbide 23.07
    tetrachloroethylene 6.42
    eugenol 11.85
    triacetin 13.77
    span 80 17.6
    1,4-butanediol 13.85
    1,1-dichloroethane 2.63
    2-methyl-1-pentanol 3.02
    methyl formate 43.49
    2-methyl-1-butanol 3.99
    n-decane 0.33
    butyronitrile 2.7
    3,7-dimethyl-1-octanol 1.9
    1-chlorooctane 1.17
    1-chlorotetradecane 0.43
    n-nonane 0.31
    undecane 0.23
    tert-butylcyclohexane 0.19
    cyclooctane 0.29
    cyclopentanol 11.42
    tetrahydropyran 9.11
    tert-amyl methyl ether 3.29
    2,5,8-trioxanonane 23.43
    1-hexene 0.83
    2-isopropoxyethanol 13.71
    2,2,2-trifluoroethanol 40.0
    methyl butyrate 6.21

    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