Isostearyl stearoyl stearate

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  • Identifiers

    CAS number
    93385-12-7

    Molecular formula
    C54H106O4

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 71.66%
    Fatty 59.66%
    Oily 50.69%
    Odorless 34.87%
    Creamy 21.29%
    Sweet 20.95%
    Balsamic 18.96%
    Milky 17.31%
    Clean 16.65%
    Dairy 16.58%

     

    Flavor
    Waxy 50.14%
    Mild 40.87%
    Fatty 39.93%
    Bland 37.28%
    Oily 36.22%
    Faint 32.64%
    Fat 27.62%
    Slightly waxy 24.93%
    Odorless 24.2%
    Delicate 22.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    24.2

    pKa est.
    10.22 (weak base)

    Molecular weight
    819.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    630°C

    Flash point

    • 298.2 ˚C est.

  • Synonyms

    • Isostearyl stearoyl stearate
    • Hetester ISS
    • X1G35R49WM
    • (+/-)-Isostearyl stearoyl stearate
    • 93385-12-7
    • Isostearyl stearoyl stearate, (+/-)-
    • UNII-X1G35R49WM
    • 12-((1-Oxooctadecyl)oxy)isooctadecyl octadecanoate
    • Isostearyl stearoyl stearate [INCI]
    • Octadecanoic acid, 12-((1-oxooctadecyl)oxy)isooctadecyl ester
    • SCHEMBL4847732
    • DTXSID70918466
    • Q27293306
    • 16-METHYLHEPTADECYL 12-(OCTADECANOYLOXY)OCTADECANOATE
    • 93385-12-7

  • Applications

    Isostearyl stearoyl stearate (CAS 93385-12-7) is primarily used as an emollient and texture modifier in cosmetics and personal care, providing slip and a smooth feel on the skin while helping to adjust viscosity and stability in creams, lotions, and haircare products. In the plastics and polymer field, it can serve as a processing lubricant and/or plasticizer to improve processing and mechanical properties of plastic formulations. In coatings and inks, it is used as an additive to enhance slip, gloss, and workability of coatings or printed materials. Additional context-dependent applications may be considered depending on formulation and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.69
    methanol 15.06
    isopropanol 17.98
    water 0.2
    ethyl acetate 248.71
    n-propanol 29.01
    acetone 130.86
    n-butanol 32.61
    acetonitrile 46.02
    DMF 186.09
    toluene 141.49
    isobutanol 30.07
    1,4-dioxane 204.56
    methyl acetate 156.17
    THF 545.71
    2-butanone 208.67
    n-pentanol 34.33
    sec-butanol 40.85
    n-hexane 29.13
    ethylene glycol 2.09
    NMP 914.12
    cyclohexane 101.96
    DMSO 189.5
    n-butyl acetate 225.17
    n-octanol 61.48
    chloroform 802.16
    n-propyl acetate 239.55
    acetic acid 85.99
    dichloromethane 839.29
    cyclohexanone 682.92
    propylene glycol 6.71
    isopropyl acetate 233.83
    DMAc 580.27
    2-ethoxyethanol 75.03
    isopentanol 40.21
    n-heptane 25.71
    ethyl formate 100.07
    1,2-dichloroethane 447.9
    n-hexanol 31.67
    2-methoxyethanol 64.07
    isobutyl acetate 161.2
    tetrachloromethane 203.88
    n-pentyl acetate 428.03
    transcutol 457.94
    n-heptanol 50.54
    ethylbenzene 96.16
    MIBK 179.53
    2-propoxyethanol 86.51
    tert-butanol 33.09
    MTBE 114.49
    2-butoxyethanol 141.88
    propionic acid 78.94
    o-xylene 126.86
    formic acid 18.35
    diethyl ether 98.15
    m-xylene 105.37
    p-xylene 138.57
    chlorobenzene 276.9
    dimethyl carbonate 103.4
    n-octane 15.8
    formamide 36.87
    cyclopentanone 691.66
    2-pentanone 208.71
    anisole 161.74
    cyclopentyl methyl ether 374.27
    gamma-butyrolactone 702.64
    1-methoxy-2-propanol 78.75
    pyridine 318.77
    3-pentanone 226.96
    furfural 460.68
    n-dodecane 7.88
    diethylene glycol 27.1
    diisopropyl ether 64.4
    tert-amyl alcohol 71.39
    acetylacetone 358.36
    n-hexadecane 9.74
    acetophenone 257.09
    methyl propionate 200.99
    isopentyl acetate 239.81
    trichloroethylene 957.01
    n-nonanol 68.7
    cyclohexanol 116.56
    benzyl alcohol 79.06
    2-ethylhexanol 51.26
    isooctanol 61.12
    dipropyl ether 130.48
    1,2-dichlorobenzene 369.5
    ethyl lactate 90.52
    propylene carbonate 428.84
    n-methylformamide 70.93
    2-pentanol 36.5
    n-pentane 17.71
    1-propoxy-2-propanol 107.98
    1-methoxy-2-propyl acetate 263.47
    2-(2-methoxypropoxy) propanol 155.53
    mesitylene 79.98
    ε-caprolactone 718.71
    p-cymene 76.27
    epichlorohydrin 648.57
    1,1,1-trichloroethane 639.65
    2-aminoethanol 8.87
    morpholine-4-carbaldehyde 414.64
    sulfolane 1118.88
    2,2,4-trimethylpentane 24.81
    2-methyltetrahydrofuran 478.06
    n-hexyl acetate 372.52
    isooctane 10.3
    2-(2-butoxyethoxy)ethanol 181.63
    sec-butyl acetate 217.75
    tert-butyl acetate 316.3
    decalin 48.04
    glycerin 13.55
    diglyme 478.35
    acrylic acid 61.31
    isopropyl myristate 110.74
    n-butyric acid 167.62
    acetyl acetate 215.11
    di(2-ethylhexyl) phthalate 101.49
    ethyl propionate 248.29
    nitromethane 224.94
    1,2-diethoxyethane 252.39
    benzonitrile 130.48
    trioctyl phosphate 70.47
    1-bromopropane 236.49
    gamma-valerolactone 839.8
    n-decanol 40.67
    triethyl phosphate 179.55
    4-methyl-2-pentanol 31.94
    propionitrile 58.56
    vinylene carbonate 340.22
    1,1,2-trichlorotrifluoroethane 396.86
    DMS 236.56
    cumene 68.43
    2-octanol 56.05
    2-hexanone 209.19
    octyl acetate 142.11
    limonene 132.53
    1,2-dimethoxyethane 217.31
    ethyl orthosilicate 169.67
    tributyl phosphate 101.53
    diacetone alcohol 193.21
    N,N-dimethylaniline 132.95
    acrylonitrile 65.22
    aniline 106.01
    1,3-propanediol 18.61
    bromobenzene 363.62
    dibromomethane 491.97
    1,1,2,2-tetrachloroethane 895.71
    2-methyl-cyclohexyl acetate 247.99
    tetrabutyl urea 151.26
    diisobutyl methanol 42.76
    2-phenylethanol 71.67
    styrene 109.22
    dioctyl adipate 200.45
    dimethyl sulfate 263.16
    ethyl butyrate 271.27
    methyl lactate 85.73
    butyl lactate 231.88
    diethyl carbonate 160.4
    propanediol butyl ether 96.68
    triethyl orthoformate 242.23
    p-tert-butyltoluene 69.55
    methyl 4-tert-butylbenzoate 330.04
    morpholine 246.61
    tert-butylamine 27.15
    n-dodecanol 26.14
    dimethoxymethane 137.25
    ethylene carbonate 302.14
    cyrene 199.2
    2-ethoxyethyl acetate 460.28
    2-ethylhexyl acetate 230.41
    1,2,4-trichlorobenzene 485.22
    4-methylpyridine 314.26
    dibutyl ether 174.68
    2,6-dimethyl-4-heptanol 42.76
    DEF 317.3
    dimethyl isosorbide 424.66
    tetrachloroethylene 533.8
    eugenol 195.15
    triacetin 467.4
    span 80 151.86
    1,4-butanediol 10.73
    1,1-dichloroethane 370.35
    2-methyl-1-pentanol 50.44
    methyl formate 66.94
    2-methyl-1-butanol 48.89
    n-decane 20.29
    butyronitrile 65.56
    3,7-dimethyl-1-octanol 68.78
    1-chlorooctane 99.11
    1-chlorotetradecane 27.38
    n-nonane 19.37
    undecane 11.64
    tert-butylcyclohexane 31.86
    cyclooctane 37.47
    cyclopentanol 110.5
    tetrahydropyran 340.28
    tert-amyl methyl ether 156.97
    2,5,8-trioxanonane 247.56
    1-hexene 63.27
    2-isopropoxyethanol 72.48
    2,2,2-trifluoroethanol 65.0
    methyl butyrate 316.05

    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