Isocetyl Isostearate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    52006-45-8

    Molecular formula
    C34H68O2

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 77.55%
    Fatty 55.18%
    Oily 46.65%
    Odorless 33.03%
    Balsamic 20.75%
    Sweet 19.94%
    Creamy 19.55%
    Woody 19.09%
    Clean 17.85%
    Fishy 17.15%

     

    Flavor
    Waxy 48.77%
    Mild 38.22%
    Bland 35.19%
    Oily 33.85%
    Fatty 32.2%
    Faint 30.13%
    Fat 25.63%
    Alkane 24.67%
    Slightly waxy 24.62%
    Delicate 23.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.7

    pKa est.
    9.33 (weak base)

    Molecular weight
    508.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    524°C

    Flash point

    • 237.09 ˚C est.

  • Synonyms

    • isocetyl isostearate
    • Isooctadecanoic acid, isohexadecyl ester
    • 52006-45-8
    • UNII-UQP66X2A3X
    • EINECS 257-598-3
    • UQP66X2A3X
    • PELEMOL ICIS
    • DTXSID1068699
    • ISOSTEARIC ACID, ISOCETYL ESTER
    • RefChem:149148
    • DTXCID2041121
    • ISOCETYL ISOSTEARATE [INCI]
    • 257-598-3
    • Isohexadecyl isooctadecanoate
    • 14-methylpentadecyl 16-methylheptadecanoate
    • ICIS
    • SCHEMBL17542247
    • DHGBAFGZLVRESL-UHFFFAOYSA-N
    • NS00013771
    • Q27291210
    • 52006-45-8

  • Applications

    Isocetyl Isostearate (CAS 52006-45-8) is a fatty ester widely used in cosmetics and personal care as an emollient and texture enhancer, delivering slip and a creamy feel in creams, lotions, and hair care formulations. It can function as a fragrance carrier or solvent for fragrance components in perfumery applications. In industrial manufacturing and coatings, it serves as a plasticizer and processing aid to improve flexibility and handling of polymer and coating formulations. It also acts as a conditioning emollient in household products and cleaning formulations, contributing to slip and conditioning properties in cleaners and laundry products. In some formulations, it may serve as a lightweight lubricant or processing aid where a fatty ester is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.68
    methanol 5.38
    isopropanol 6.71
    water 0.04
    ethyl acetate 116.68
    n-propanol 10.71
    acetone 49.68
    n-butanol 14.72
    acetonitrile 14.46
    DMF 65.81
    toluene 55.78
    isobutanol 13.43
    1,4-dioxane 106.02
    methyl acetate 60.16
    THF 306.25
    2-butanone 89.1
    n-pentanol 16.64
    sec-butanol 17.26
    n-hexane 18.66
    ethylene glycol 0.6
    NMP 376.95
    cyclohexane 87.35
    DMSO 79.24
    n-butyl acetate 155.2
    n-octanol 42.81
    chloroform 449.34
    n-propyl acetate 147.08
    acetic acid 26.08
    dichloromethane 423.29
    cyclohexanone 371.43
    propylene glycol 2.23
    isopropyl acetate 139.89
    DMAc 229.38
    2-ethoxyethanol 37.47
    isopentanol 25.0
    n-heptane 23.62
    ethyl formate 40.06
    1,2-dichloroethane 230.47
    n-hexanol 17.92
    2-methoxyethanol 27.94
    isobutyl acetate 118.79
    tetrachloromethane 122.11
    n-pentyl acetate 320.71
    transcutol 353.69
    n-heptanol 34.82
    ethylbenzene 52.52
    MIBK 121.28
    2-propoxyethanol 47.12
    tert-butanol 19.84
    MTBE 79.28
    2-butoxyethanol 90.74
    propionic acid 28.0
    o-xylene 64.62
    formic acid 4.69
    diethyl ether 51.77
    m-xylene 50.18
    p-xylene 80.21
    chlorobenzene 122.46
    dimethyl carbonate 31.92
    n-octane 13.85
    formamide 9.69
    cyclopentanone 341.26
    2-pentanone 101.98
    anisole 99.05
    cyclopentyl methyl ether 219.5
    gamma-butyrolactone 301.87
    1-methoxy-2-propanol 38.86
    pyridine 126.56
    3-pentanone 109.51
    furfural 197.41
    n-dodecane 6.42
    diethylene glycol 13.61
    diisopropyl ether 48.02
    tert-amyl alcohol 41.62
    acetylacetone 173.54
    n-hexadecane 8.06
    acetophenone 151.1
    methyl propionate 82.24
    isopentyl acetate 187.11
    trichloroethylene 468.99
    n-nonanol 49.39
    cyclohexanol 63.18
    benzyl alcohol 39.12
    2-ethylhexanol 38.36
    isooctanol 48.57
    dipropyl ether 115.61
    1,2-dichlorobenzene 187.05
    ethyl lactate 50.2
    propylene carbonate 214.24
    n-methylformamide 21.36
    2-pentanol 17.83
    n-pentane 9.59
    1-propoxy-2-propanol 73.36
    1-methoxy-2-propyl acetate 174.69
    2-(2-methoxypropoxy) propanol 119.42
    mesitylene 48.49
    ε-caprolactone 361.83
    p-cymene 58.35
    epichlorohydrin 312.78
    1,1,1-trichloroethane 372.3
    2-aminoethanol 2.94
    morpholine-4-carbaldehyde 193.54
    sulfolane 559.94
    2,2,4-trimethylpentane 19.5
    2-methyltetrahydrofuran 268.81
    n-hexyl acetate 268.03
    isooctane 9.42
    2-(2-butoxyethoxy)ethanol 131.61
    sec-butyl acetate 152.06
    tert-butyl acetate 239.46
    decalin 38.26
    glycerin 5.06
    diglyme 377.23
    acrylic acid 19.54
    isopropyl myristate 90.6
    n-butyric acid 79.18
    acetyl acetate 101.62
    di(2-ethylhexyl) phthalate 65.66
    ethyl propionate 149.35
    nitromethane 74.28
    1,2-diethoxyethane 200.3
    benzonitrile 60.59
    trioctyl phosphate 47.04
    1-bromopropane 131.07
    gamma-valerolactone 426.29
    n-decanol 29.02
    triethyl phosphate 131.96
    4-methyl-2-pentanol 21.76
    propionitrile 21.91
    vinylene carbonate 142.62
    1,1,2-trichlorotrifluoroethane 189.89
    DMS 114.88
    cumene 44.71
    2-octanol 42.29
    2-hexanone 127.55
    octyl acetate 99.17
    limonene 108.47
    1,2-dimethoxyethane 145.57
    ethyl orthosilicate 135.21
    tributyl phosphate 70.53
    diacetone alcohol 141.23
    N,N-dimethylaniline 85.05
    acrylonitrile 20.91
    aniline 41.12
    1,3-propanediol 7.71
    bromobenzene 172.19
    dibromomethane 254.28
    1,1,2,2-tetrachloroethane 478.33
    2-methyl-cyclohexyl acetate 207.92
    tetrabutyl urea 109.42
    diisobutyl methanol 41.46
    2-phenylethanol 41.18
    styrene 55.97
    dioctyl adipate 157.11
    dimethyl sulfate 98.76
    ethyl butyrate 206.03
    methyl lactate 31.25
    butyl lactate 155.06
    diethyl carbonate 111.5
    propanediol butyl ether 63.96
    triethyl orthoformate 199.3
    p-tert-butyltoluene 54.93
    methyl 4-tert-butylbenzoate 236.28
    morpholine 123.65
    tert-butylamine 18.22
    n-dodecanol 19.34
    dimethoxymethane 56.72
    ethylene carbonate 133.53
    cyrene 127.79
    2-ethoxyethyl acetate 287.98
    2-ethylhexyl acetate 184.05
    1,2,4-trichlorobenzene 235.92
    4-methylpyridine 135.94
    dibutyl ether 163.81
    2,6-dimethyl-4-heptanol 41.46
    DEF 152.31
    dimethyl isosorbide 343.68
    tetrachloroethylene 276.36
    eugenol 133.78
    triacetin 304.43
    span 80 116.97
    1,4-butanediol 4.45
    1,1-dichloroethane 188.86
    2-methyl-1-pentanol 30.37
    methyl formate 19.77
    2-methyl-1-butanol 25.51
    n-decane 17.71
    butyronitrile 30.2
    3,7-dimethyl-1-octanol 57.9
    1-chlorooctane 80.65
    1-chlorotetradecane 22.39
    n-nonane 17.23
    undecane 9.65
    tert-butylcyclohexane 27.07
    cyclooctane 29.06
    cyclopentanol 51.48
    tetrahydropyran 190.55
    tert-amyl methyl ether 110.28
    2,5,8-trioxanonane 190.78
    1-hexene 34.91
    2-isopropoxyethanol 43.63
    2,2,2-trifluoroethanol 20.37
    methyl butyrate 194.96

    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