Isopropyl isostearate

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  • Identifiers

    CAS number
    68171-33-5

    Molecular formula
    C21H42O2

    SMILES
    CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C

  • Odor profile

    Fragrance
    Waxy 74.79%
    Fatty 66.01%
    Oily 56.54%
    Creamy 30.12%
    Odorless 29.56%
    Sweet 24.17%
    Milky 23.64%
    Woody 23.32%
    Dairy 22.73%
    Fruity 21.41%

     

    Flavor
    Oily 45.93%
    Waxy 44.92%
    Mild 38.48%
    Fatty 37.58%
    Bland 33.42%
    Fat 29.4%
    Faint 28.9%
    Soapy 27.17%
    Slightly waxy 24.95%
    Beer 24.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    7.53 (neutral)

    Molecular weight
    326.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    362°C

    Flash point

    • 160.05 ˚C est.

  • Synonyms

    • Isopropyl isostearate
    • 68171-33-5
    • Isopropyl 16-methylheptadecanoate
    • Nikkol IPIS
    • 31478-84-9
    • propan-2-yl 16-methylheptadecanoate
    • Wickenol 131
    • Isooctadecanoic acid, 1-methylethyl ester
    • C67IXB9Y7T
    • 2-Propyl isooctadecanoate
    • Isostearic acid, isopropyl ester
    • 1-Methylethyl isooctadecanoate
    • Isopropyl isodecanoate
    • EINECS 250-651-1
    • UNII-C67IXB9Y7T
    • EINECS 269-023-3
    • Heptadecanoic acid, 16-methyl-, 1-methylethyl ester
    • IPIS
    • CRODAMOL IPIS
    • DERMOL IPIS
    • JEECHEM IPIS
    • NIKKOL EPIS
    • UNIMATE IPIS
    • MATLUBE II
    • DUB ISIP
    • SCHERCEMOL 318
    • LANESTA 10
    • EC 269-023-3
    • PRISORINE 2021
    • WITCONOL 2310
    • SCHERCEMOL 318 ESTER
    • isostearic acid isopropyl ester
    • PRISORINE IPIS 2021
    • SCHEMBL8088310
    • AEC ISOPROPYL ISOSTEARATE
    • DTXSID101015768
    • i-Propyl 16-methyl-heptadecanoate
    • ISOPROPYL ISOSTEARATE [II]
    • ISOPROPYL ISOSTEARATE [USP-RS]
    • ISOPROPYL ISOSTEARATE [WHO-DD]
    • DB-055113
    • ISOPROPYL ISOSTEARATE [EP MONOGRAPH]
    • NS00008061
    • Q27275243

  • Applications

    Isopropyl isostearate (CAS 68171-33-5) is commonly used as a lightweight emollient and solvent in cosmetics and personal care, providing slip and a smooth skin feel in products such as creams, lotions, makeup bases, and sunscreen formulations. It is often evaluated as a carrier or solvent for fragrance oils in perfumery and related formulations. In coatings, inks, and plastics, it can function as a processing aid and plasticizer to improve rheology, flow, and flexibility. It may also serve as a lubricant or slip agent in industrial coating and adhesive systems. In pharmaceutical topical formulations, it is used as an inert solvent/emollient excipient to aid spreading and skin feel. It can also appear in household and industrial cleaning products as a solvent and emollient component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 261.06
    methanol 194.67
    isopropanol 392.5
    water 0.05
    ethyl acetate 1352.74
    n-propanol 375.56
    acetone 922.04
    n-butanol 484.77
    acetonitrile 299.69
    DMF 933.38
    toluene 527.87
    isobutanol 443.97
    1,4-dioxane 1194.02
    methyl acetate 721.15
    THF 2626.1
    2-butanone 1150.62
    n-pentanol 339.33
    sec-butanol 534.25
    n-hexane 292.88
    ethylene glycol 10.6
    NMP 1916.25
    cyclohexane 1025.65
    DMSO 839.27
    n-butyl acetate 1458.6
    n-octanol 376.22
    chloroform 2703.08
    n-propyl acetate 1399.12
    acetic acid 314.37
    dichloromethane 2543.49
    cyclohexanone 3105.75
    propylene glycol 49.11
    isopropyl acetate 1314.38
    DMAc 1574.93
    2-ethoxyethanol 486.66
    isopentanol 634.23
    n-heptane 228.7
    ethyl formate 487.14
    1,2-dichloroethane 1810.81
    n-hexanol 357.12
    2-methoxyethanol 521.95
    isobutyl acetate 1039.66
    tetrachloromethane 723.27
    n-pentyl acetate 1686.18
    transcutol 2324.98
    n-heptanol 321.17
    ethylbenzene 406.95
    MIBK 1242.09
    2-propoxyethanol 605.85
    tert-butanol 699.97
    MTBE 1314.81
    2-butoxyethanol 664.6
    propionic acid 362.68
    o-xylene 487.81
    formic acid 37.55
    diethyl ether 1053.01
    m-xylene 434.35
    p-xylene 630.03
    chlorobenzene 878.84
    dimethyl carbonate 194.42
    n-octane 101.0
    formamide 78.86
    cyclopentanone 2506.1
    2-pentanone 1351.47
    anisole 694.48
    cyclopentyl methyl ether 1849.84
    gamma-butyrolactone 2067.6
    1-methoxy-2-propanol 689.5
    pyridine 1103.78
    3-pentanone 1043.78
    furfural 1197.72
    n-dodecane 50.71
    diethylene glycol 184.81
    diisopropyl ether 579.57
    tert-amyl alcohol 810.76
    acetylacetone 1353.3
    n-hexadecane 64.8
    acetophenone 817.24
    methyl propionate 833.53
    isopentyl acetate 1474.65
    trichloroethylene 2665.54
    n-nonanol 375.59
    cyclohexanol 1063.09
    benzyl alcohol 383.6
    2-ethylhexanol 474.74
    isooctanol 375.23
    dipropyl ether 1067.38
    1,2-dichlorobenzene 1011.14
    ethyl lactate 367.01
    propylene carbonate 1270.9
    n-methylformamide 293.48
    2-pentanol 507.63
    n-pentane 179.95
    1-propoxy-2-propanol 749.54
    1-methoxy-2-propyl acetate 1122.37
    2-(2-methoxypropoxy) propanol 575.75
    mesitylene 363.64
    ε-caprolactone 2414.33
    p-cymene 339.02
    epichlorohydrin 2095.24
    1,1,1-trichloroethane 2442.8
    2-aminoethanol 64.99
    morpholine-4-carbaldehyde 1417.19
    sulfolane 2699.28
    2,2,4-trimethylpentane 155.27
    2-methyltetrahydrofuran 2435.04
    n-hexyl acetate 1685.46
    isooctane 92.62
    2-(2-butoxyethoxy)ethanol 785.83
    sec-butyl acetate 1219.4
    tert-butyl acetate 1678.62
    decalin 300.65
    glycerin 70.62
    diglyme 1781.57
    acrylic acid 195.13
    isopropyl myristate 568.79
    n-butyric acid 1096.09
    acetyl acetate 741.51
    di(2-ethylhexyl) phthalate 352.87
    ethyl propionate 1170.62
    nitromethane 720.48
    1,2-diethoxyethane 1340.42
    benzonitrile 606.11
    trioctyl phosphate 291.52
    1-bromopropane 1343.43
    gamma-valerolactone 2726.92
    n-decanol 241.58
    triethyl phosphate 550.31
    4-methyl-2-pentanol 381.9
    propionitrile 425.65
    vinylene carbonate 865.53
    1,1,2-trichlorotrifluoroethane 1090.61
    DMS 699.54
    cumene 307.42
    2-octanol 359.15
    2-hexanone 1234.37
    octyl acetate 657.55
    limonene 734.1
    1,2-dimethoxyethane 1480.16
    ethyl orthosilicate 567.32
    tributyl phosphate 402.33
    diacetone alcohol 1102.35
    N,N-dimethylaniline 513.94
    acrylonitrile 354.22
    aniline 461.56
    1,3-propanediol 184.12
    bromobenzene 1054.1
    dibromomethane 1840.69
    1,1,2,2-tetrachloroethane 2821.01
    2-methyl-cyclohexyl acetate 1067.65
    tetrabutyl urea 593.55
    diisobutyl methanol 357.48
    2-phenylethanol 397.57
    styrene 461.93
    dioctyl adipate 771.47
    dimethyl sulfate 425.64
    ethyl butyrate 1353.75
    methyl lactate 253.3
    butyl lactate 817.25
    diethyl carbonate 645.63
    propanediol butyl ether 488.85
    triethyl orthoformate 983.23
    p-tert-butyltoluene 316.69
    methyl 4-tert-butylbenzoate 878.76
    morpholine 1645.25
    tert-butylamine 547.44
    n-dodecanol 171.2
    dimethoxymethane 648.61
    ethylene carbonate 926.59
    cyrene 555.93
    2-ethoxyethyl acetate 1349.7
    2-ethylhexyl acetate 1308.14
    1,2,4-trichlorobenzene 1151.52
    4-methylpyridine 1280.45
    dibutyl ether 1240.8
    2,6-dimethyl-4-heptanol 357.48
    DEF 1549.6
    dimethyl isosorbide 1232.54
    tetrachloroethylene 1750.6
    eugenol 581.54
    triacetin 1278.6
    span 80 645.49
    1,4-butanediol 78.24
    1,1-dichloroethane 1874.16
    2-methyl-1-pentanol 444.32
    methyl formate 205.86
    2-methyl-1-butanol 566.66
    n-decane 128.1
    butyronitrile 670.85
    3,7-dimethyl-1-octanol 470.41
    1-chlorooctane 568.19
    1-chlorotetradecane 168.35
    n-nonane 131.94
    undecane 74.39
    tert-butylcyclohexane 232.42
    cyclooctane 250.87
    cyclopentanol 921.93
    tetrahydropyran 2378.96
    tert-amyl methyl ether 1157.37
    2,5,8-trioxanonane 948.61
    1-hexene 601.66
    2-isopropoxyethanol 505.89
    2,2,2-trifluoroethanol 134.13
    methyl butyrate 1610.01

    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