Chimyl Isostearate

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  • Identifiers

    CAS number
    245653-24-1

    Molecular formula
    C37H74O4

    SMILES
    CCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 72.52%
    Fatty 54.79%
    Oily 43.78%
    Odorless 36.4%
    Creamy 19.95%
    Sweet 19.78%
    Alcoholic 18.35%
    Clean 17.9%
    Milky 17.24%
    Balsamic 17.03%

     

    Flavor
    Waxy 49.02%
    Mild 42.32%
    Fatty 41.57%
    Bland 37.67%
    Oily 37.65%
    Faint 31.62%
    Fat 27.68%
    Odorless 25.31%
    Slightly waxy 24.71%
    Soapy 24.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.2

    pKa est.
    9.6 (weak base)

    Molecular weight
    583.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    682°C

    Flash point

    • 251.03 ˚C est.

  • Synonyms

    • Chimyl isostearate
    • Isostearic acid, chimyl ester
    • UNII-3TO3PU0UUU
    • 3TO3PU0UUU
    • Isooctadecanoic acid, chimyl ester
    • Isostearic acid, 3-hexadecyloxy-2-hydroxypropyl ester
    • Isooctadecanoic acid, monoester with 3-(hexadecyloxy)-1,2-propanediol
    • Heptadecanoic acid, 16-methyl-, 3-(hexadecyloxy)-2-hydroxypropyl ester
    • 245653-24-1
    • RefChem:125196
    • CHIMYL ISOSTEARATE [INCI]
    • ISOSTEARIC ACID, 3-HEXADECYLOXY-2-HYDROXYPROPYL ESTER, (+-)-
    • Isostearic acid, 3-hexadecyloxy-2-hydroxypropyl ester, (+/-)-
    • SCHEMBL29697241
    • Q27258021
    • 245653-24-1

  • Applications

    Chimyl Isostearate (CAS 245653-24-1) is an ester of chimyl alcohol and isostearic acid that functions as a nonionic surfactant and emollient used broadly in cosmetics and personal care products (moisturizers, creams, lotions, and hair or lip care formulations), while also serving as a slip agent and emulsifier in formulations for skincare and cleansing. It is employed as an emulsifier and surfactant in household cleaning products to improve oil dispersion and stabilize emulsions; in the plastics and coatings industry it can act as a process lubricant and softening additive, aiding flow, gloss, and uniformity of polymer systems and coatings. It is used as an additive in paints, inks, and adhesives to enhance slip and compatibility of emulsions; in addition it may function as a plasticizing or softening component in adhesives and sealants to improve laydown and film formation, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.39
    methanol 3.32
    isopropanol 2.25
    water 0.06
    ethyl acetate 42.03
    n-propanol 4.16
    acetone 21.95
    n-butanol 4.68
    acetonitrile 6.68
    DMF 38.45
    toluene 20.35
    isobutanol 4.43
    1,4-dioxane 40.93
    methyl acetate 26.58
    THF 121.07
    2-butanone 34.31
    n-pentanol 5.97
    sec-butanol 5.52
    n-hexane 4.15
    ethylene glycol 0.51
    NMP 211.32
    cyclohexane 18.61
    DMSO 58.51
    n-butyl acetate 47.64
    n-octanol 16.45
    chloroform 178.96
    n-propyl acetate 51.12
    acetic acid 18.82
    dichloromethane 170.17
    cyclohexanone 138.21
    propylene glycol 1.39
    isopropyl acetate 45.62
    DMAc 137.13
    2-ethoxyethanol 17.72
    isopentanol 7.2
    n-heptane 5.69
    ethyl formate 18.23
    1,2-dichloroethane 88.08
    n-hexanol 5.89
    2-methoxyethanol 14.23
    isobutyl acetate 36.93
    tetrachloromethane 42.88
    n-pentyl acetate 111.11
    transcutol 172.93
    n-heptanol 12.72
    ethylbenzene 17.65
    MIBK 37.85
    2-propoxyethanol 19.89
    tert-butanol 6.31
    MTBE 23.16
    2-butoxyethanol 42.07
    propionic acid 14.65
    o-xylene 23.61
    formic acid 4.68
    diethyl ether 14.82
    m-xylene 18.16
    p-xylene 25.45
    chlorobenzene 42.49
    dimethyl carbonate 20.19
    n-octane 3.57
    formamide 8.4
    cyclopentanone 146.87
    2-pentanone 35.82
    anisole 33.84
    cyclopentyl methyl ether 79.73
    gamma-butyrolactone 153.91
    1-methoxy-2-propanol 17.67
    pyridine 51.89
    3-pentanone 42.26
    furfural 106.77
    n-dodecane 1.94
    diethylene glycol 7.28
    diisopropyl ether 12.89
    tert-amyl alcohol 13.39
    acetylacetone 76.96
    n-hexadecane 2.39
    acetophenone 58.18
    methyl propionate 36.88
    isopentyl acetate 56.51
    trichloroethylene 201.9
    n-nonanol 19.11
    cyclohexanol 20.24
    benzyl alcohol 15.79
    2-ethylhexanol 12.05
    isooctanol 16.53
    dipropyl ether 31.5
    1,2-dichlorobenzene 67.57
    ethyl lactate 24.54
    propylene carbonate 98.5
    n-methylformamide 13.08
    2-pentanol 5.55
    n-pentane 2.32
    1-propoxy-2-propanol 29.05
    1-methoxy-2-propyl acetate 63.83
    2-(2-methoxypropoxy) propanol 51.94
    mesitylene 16.3
    ε-caprolactone 150.07
    p-cymene 18.93
    epichlorohydrin 136.61
    1,1,1-trichloroethane 134.11
    2-aminoethanol 1.83
    morpholine-4-carbaldehyde 100.36
    sulfolane 326.6
    2,2,4-trimethylpentane 5.32
    2-methyltetrahydrofuran 89.5
    n-hexyl acetate 97.14
    isooctane 2.23
    2-(2-butoxyethoxy)ethanol 58.61
    sec-butyl acetate 49.45
    tert-butyl acetate 83.75
    decalin 10.56
    glycerin 3.62
    diglyme 167.29
    acrylic acid 12.36
    isopropyl myristate 28.81
    n-butyric acid 32.54
    acetyl acetate 44.69
    di(2-ethylhexyl) phthalate 26.92
    ethyl propionate 52.92
    nitromethane 51.45
    1,2-diethoxyethane 68.61
    benzonitrile 24.0
    trioctyl phosphate 18.75
    1-bromopropane 39.93
    gamma-valerolactone 197.64
    n-decanol 11.05
    triethyl phosphate 51.64
    4-methyl-2-pentanol 6.38
    propionitrile 8.72
    vinylene carbonate 75.05
    1,1,2-trichlorotrifluoroethane 114.89
    DMS 52.4
    cumene 14.88
    2-octanol 14.54
    2-hexanone 43.29
    octyl acetate 35.24
    limonene 32.94
    1,2-dimethoxyethane 58.52
    ethyl orthosilicate 50.42
    tributyl phosphate 27.96
    diacetone alcohol 55.44
    N,N-dimethylaniline 31.9
    acrylonitrile 10.54
    aniline 15.96
    1,3-propanediol 3.69
    bromobenzene 57.64
    dibromomethane 94.66
    1,1,2,2-tetrachloroethane 207.96
    2-methyl-cyclohexyl acetate 68.54
    tetrabutyl urea 42.83
    diisobutyl methanol 12.13
    2-phenylethanol 15.08
    styrene 18.24
    dioctyl adipate 55.83
    dimethyl sulfate 68.78
    ethyl butyrate 65.27
    methyl lactate 19.2
    butyl lactate 68.31
    diethyl carbonate 39.37
    propanediol butyl ether 31.51
    triethyl orthoformate 70.55
    p-tert-butyltoluene 18.41
    methyl 4-tert-butylbenzoate 98.53
    morpholine 48.47
    tert-butylamine 5.02
    n-dodecanol 7.13
    dimethoxymethane 28.54
    ethylene carbonate 64.31
    cyrene 64.28
    2-ethoxyethyl acetate 122.61
    2-ethylhexyl acetate 55.54
    1,2,4-trichlorobenzene 94.44
    4-methylpyridine 47.09
    dibutyl ether 46.91
    2,6-dimethyl-4-heptanol 12.13
    DEF 62.99
    dimethyl isosorbide 149.66
    tetrachloroethylene 124.4
    eugenol 61.72
    triacetin 138.71
    span 80 46.92
    1,4-butanediol 2.27
    1,1-dichloroethane 64.69
    2-methyl-1-pentanol 10.22
    methyl formate 12.73
    2-methyl-1-butanol 8.0
    n-decane 5.21
    butyronitrile 10.25
    3,7-dimethyl-1-octanol 19.94
    1-chlorooctane 24.77
    1-chlorotetradecane 6.76
    n-nonane 4.85
    undecane 2.92
    tert-butylcyclohexane 7.24
    cyclooctane 7.22
    cyclopentanol 18.96
    tetrahydropyran 59.72
    tert-amyl methyl ether 35.6
    2,5,8-trioxanonane 87.9
    1-hexene 9.36
    2-isopropoxyethanol 17.66
    2,2,2-trifluoroethanol 15.73
    methyl butyrate 68.96

    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