Isocetyl stearoyl stearate

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  • Identifiers

    CAS number
    97338-28-8

    Molecular formula
    C52H102O4

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Waxy 70.8%
    Fatty 59.64%
    Oily 51.36%
    Odorless 34.92%
    Creamy 21.79%
    Sweet 21.53%
    Balsamic 19.37%
    Milky 17.95%
    Fruity 17.27%
    Dairy 17.0%

     

    Flavor
    Waxy 50.14%
    Mild 41.19%
    Fatty 40.88%
    Oily 37.43%
    Bland 37.25%
    Faint 32.85%
    Fat 28.17%
    Slightly waxy 25.04%
    Odorless 24.32%
    Bay oil 22.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    23.1

    pKa est.
    10.58 (weak base)

    Molecular weight
    791.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    621°C

    Flash point

    • 293.9 ˚C est.

  • Synonyms

    • isocetyl stearoyl stearate
    • 97338-28-8
    • IJV4LS383R
    • EINECS 306-621-6
    • Isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate
    • HETESTER HSS
    • DUB SSIC
    • CERAPHYL 791
    • Isohexadecyl 12-((1-oxooctadecyl)oxy)octadecanoate
    • AEC ISOCETYL STEAROYL STEARATE
    • Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, isohexadecyl ester
    • OCTADECANOIC ACID, 12-((1-OXOOCTADECYL)OXY)-, ISOHEXADECYL ESTER
    • RefChem:791692
    • DTXSID301036669
    • (+-)-ISOCETYL STEAROYL STEARATE
    • ISOCETYL STEAROYL STEARATE [INCI]
    • ISOCETYL STEAROYL STEARATE, (+-)-
    • Octadecanoic acid, 12-(1-oxooctadecyl)oxy-, isohexadecyl ester
    • UNII-IJV4LS383R
    • 14-methylpentadecyl 12-octadecanoyloxyoctadecanoate
    • SCHEMBL22471709
    • DTXSID00869295
    • OUZJJDFOKSDCHY-UHFFFAOYSA-N
    • (+/-)-ISOCETYL STEAROYL STEARATE
    • ISOCETYL STEAROYL STEARATE, (+/-)-
    • Q27280759
    • 14-METHYLPENTADECYL 12-(OCTADECANOYLOXY)OCTADECANOATE
    • 1859917-93-3
    • 97338-28-8

  • Applications

    Isocetyl stearoyl stearate, CAS 97338-28-8, is a wax-like ester commonly used as an emollient and texture enhancer in cosmetics and personal care (creams, lotions, lip products). It also serves as a processing aid and slip agent or plasticizer in polymer and plastics formulations. In coatings and inks, it can act as a waxy additive to improve gloss and surface lubricity. It may be present in household products such as polishes and cleaners as a conditioning, waxy component. In pharmaceutical topical formulations, it may be used as an inert excipient or carrier, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.52
    methanol 16.02
    isopropanol 18.79
    water 0.2
    ethyl acetate 256.15
    n-propanol 30.16
    acetone 135.03
    n-butanol 33.98
    acetonitrile 47.84
    DMF 189.55
    toluene 143.42
    isobutanol 31.25
    1,4-dioxane 210.17
    methyl acetate 160.09
    THF 556.32
    2-butanone 214.28
    n-pentanol 35.58
    sec-butanol 42.29
    n-hexane 29.67
    ethylene glycol 2.18
    NMP 928.55
    cyclohexane 105.14
    DMSO 194.86
    n-butyl acetate 229.8
    n-octanol 63.19
    chloroform 815.04
    n-propyl acetate 245.66
    acetic acid 89.04
    dichloromethane 859.52
    cyclohexanone 697.97
    propylene glycol 6.96
    isopropyl acetate 239.59
    DMAc 592.28
    2-ethoxyethanol 77.5
    isopentanol 41.9
    n-heptane 26.05
    ethyl formate 102.54
    1,2-dichloroethane 460.17
    n-hexanol 32.55
    2-methoxyethanol 66.28
    isobutyl acetate 165.29
    tetrachloromethane 207.89
    n-pentyl acetate 436.94
    transcutol 470.46
    n-heptanol 52.14
    ethylbenzene 97.71
    MIBK 184.57
    2-propoxyethanol 88.64
    tert-butanol 34.43
    MTBE 117.38
    2-butoxyethanol 145.9
    propionic acid 81.24
    o-xylene 128.87
    formic acid 19.07
    diethyl ether 101.44
    m-xylene 106.39
    p-xylene 140.71
    chlorobenzene 281.54
    dimethyl carbonate 104.78
    n-octane 16.03
    formamide 38.3
    cyclopentanone 704.66
    2-pentanone 214.7
    anisole 164.88
    cyclopentyl methyl ether 380.58
    gamma-butyrolactone 710.65
    1-methoxy-2-propanol 80.96
    pyridine 323.76
    3-pentanone 231.26
    furfural 466.6
    n-dodecane 7.99
    diethylene glycol 28.05
    diisopropyl ether 66.14
    tert-amyl alcohol 73.81
    acetylacetone 366.97
    n-hexadecane 9.86
    acetophenone 261.5
    methyl propionate 204.89
    isopentyl acetate 244.29
    trichloroethylene 971.55
    n-nonanol 70.37
    cyclohexanol 120.55
    benzyl alcohol 81.17
    2-ethylhexanol 52.49
    isooctanol 63.0
    dipropyl ether 132.9
    1,2-dichlorobenzene 376.13
    ethyl lactate 92.01
    propylene carbonate 434.88
    n-methylformamide 72.64
    2-pentanol 37.73
    n-pentane 18.1
    1-propoxy-2-propanol 109.98
    1-methoxy-2-propyl acetate 267.66
    2-(2-methoxypropoxy) propanol 157.88
    mesitylene 80.78
    ε-caprolactone 730.85
    p-cymene 77.19
    epichlorohydrin 660.49
    1,1,1-trichloroethane 650.4
    2-aminoethanol 9.22
    morpholine-4-carbaldehyde 422.45
    sulfolane 1130.18
    2,2,4-trimethylpentane 25.16
    2-methyltetrahydrofuran 487.05
    n-hexyl acetate 380.75
    isooctane 10.45
    2-(2-butoxyethoxy)ethanol 185.86
    sec-butyl acetate 222.63
    tert-butyl acetate 323.58
    decalin 48.67
    glycerin 13.98
    diglyme 488.42
    acrylic acid 62.96
    isopropyl myristate 112.71
    n-butyric acid 173.4
    acetyl acetate 219.4
    di(2-ethylhexyl) phthalate 103.2
    ethyl propionate 253.21
    nitromethane 231.33
    1,2-diethoxyethane 257.84
    benzonitrile 133.29
    trioctyl phosphate 71.83
    1-bromopropane 241.62
    gamma-valerolactone 855.16
    n-decanol 41.71
    triethyl phosphate 181.22
    4-methyl-2-pentanol 33.02
    propionitrile 60.4
    vinylene carbonate 344.24
    1,1,2-trichlorotrifluoroethane 402.77
    DMS 239.53
    cumene 69.63
    2-octanol 57.59
    2-hexanone 214.41
    octyl acetate 145.28
    limonene 134.2
    1,2-dimethoxyethane 222.91
    ethyl orthosilicate 171.08
    tributyl phosphate 103.23
    diacetone alcohol 198.67
    N,N-dimethylaniline 135.13
    acrylonitrile 66.95
    aniline 108.12
    1,3-propanediol 19.45
    bromobenzene 368.26
    dibromomethane 503.17
    1,1,2,2-tetrachloroethane 907.49
    2-methyl-cyclohexyl acetate 251.1
    tetrabutyl urea 153.55
    diisobutyl methanol 43.63
    2-phenylethanol 73.2
    styrene 111.08
    dioctyl adipate 203.69
    dimethyl sulfate 265.84
    ethyl butyrate 275.64
    methyl lactate 87.24
    butyl lactate 236.21
    diethyl carbonate 162.66
    propanediol butyl ether 99.25
    triethyl orthoformate 243.88
    p-tert-butyltoluene 69.96
    methyl 4-tert-butylbenzoate 334.73
    morpholine 253.41
    tert-butylamine 28.15
    n-dodecanol 26.82
    dimethoxymethane 140.17
    ethylene carbonate 306.64
    cyrene 202.05
    2-ethoxyethyl acetate 468.7
    2-ethylhexyl acetate 234.57
    1,2,4-trichlorobenzene 493.63
    4-methylpyridine 319.83
    dibutyl ether 177.97
    2,6-dimethyl-4-heptanol 43.63
    DEF 323.99
    dimethyl isosorbide 429.61
    tetrachloroethylene 543.53
    eugenol 199.09
    triacetin 474.27
    span 80 154.8
    1,4-butanediol 11.15
    1,1-dichloroethane 378.46
    2-methyl-1-pentanol 52.22
    methyl formate 68.46
    2-methyl-1-butanol 50.73
    n-decane 20.49
    butyronitrile 67.88
    3,7-dimethyl-1-octanol 70.27
    1-chlorooctane 100.58
    1-chlorotetradecane 27.87
    n-nonane 19.61
    undecane 11.8
    tert-butylcyclohexane 32.31
    cyclooctane 38.01
    cyclopentanol 113.92
    tetrahydropyran 349.73
    tert-amyl methyl ether 160.22
    2,5,8-trioxanonane 253.04
    1-hexene 64.79
    2-isopropoxyethanol 74.55
    2,2,2-trifluoroethanol 66.95
    methyl butyrate 323.35

    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