Dihydrocholesteryl oleate

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  • Identifiers

    CAS number
    2078-50-4

    Molecular formula
    C45H80O2

    SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 65.2%
    Woody 48.13%
    Fatty 47.03%
    Oily 46.18%
    Balsamic 35.32%
    Sandalwood 31.22%
    Green 26.93%
    Floral 26.82%
    Amber 25.88%
    Sweet 25.58%

     

    Flavor
    Waxy 32.56%
    Mild 25.24%
    Faint 24.61%
    Bland 23.57%
    Fatty 22.47%
    Slightly waxy 21.54%
    Delicate 20.83%
    Oily 20.68%
    Diterpene 20.35%
    Low 20.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.4

    pKa est.
    -78.32 (strong acid)

    Molecular weight
    653.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    629°C

    Flash point

    • -245.11 ˚C est.

  • Synonyms

    • Cholestanol oleate
    • Dihydrocholesteryl oleate
    • 3-Cholestanyl oleate
    • beta-Cholestanyl oleate
    • UNII-787E5U93KV
    • 787E5U93KV
    • Cholestan-3-ol, 9-octadecenoate, (3beta(Z),5alpha)-
    • Cholestan-3-ol, (9Z)-9-octadecenoate, (3beta,5alpha)-
    • 2078-50-4
    • Cholestan-3-ol, 3-((9Z)-9-octadecenoate), (3beta,5alpha)-
    • .BETA.-CHOLESTANYL OLEATE
    • CHOLESTAN-3-OL, (9Z)-9-OCTADECENOATE, (3.BETA.,5.ALPHA.)-
    • CHOLESTAN-3-OL, 9-OCTADECENOATE, (3.BETA.(Z),5.ALPHA.)-
    • CHOLESTAN-3-OL, 3-((9Z)-9-OCTADECENOATE), (3.BETA.,5.ALPHA.)-
    • RefChem:200577
    • DIHYDROCHOLESTERYL OLEATE [INCI]
    • SCHEMBL4734634
    • Q27266646
    • 2078-50-4

  • Applications

    Dihydrocholesteryl oleate (CAS 2078-50-4) is a lipophilic cholesterol ester commonly used in cosmetic and personal care formulations as an emollient and conditioning agent, and as a wax-like structuring component in moisturizers and lipid-based emulsions; it may be used as an intermediate or excipient in pharmaceutical lipid formulations and topical drug-delivery systems, and as a component in coatings, inks, and certain industrial lubricants where a waxy lipophilic ester is advantageous.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.98
    methanol 7.39
    isopropanol 14.7
    water 0.06
    ethyl acetate 77.05
    n-propanol 30.7
    acetone 39.42
    n-butanol 39.56
    acetonitrile 9.94
    DMF 40.36
    toluene 113.06
    isobutanol 27.1
    1,4-dioxane 92.34
    methyl acetate 39.77
    THF 205.25
    2-butanone 75.5
    n-pentanol 34.19
    sec-butanol 23.88
    n-hexane 12.94
    ethylene glycol 0.86
    NMP 158.07
    cyclohexane 26.69
    DMSO 25.1
    n-butyl acetate 96.14
    n-octanol 27.49
    chloroform 236.36
    n-propyl acetate 68.72
    acetic acid 24.55
    dichloromethane 188.59
    cyclohexanone 192.83
    propylene glycol 2.53
    isopropyl acetate 83.97
    DMAc 123.27
    2-ethoxyethanol 40.6
    isopentanol 38.66
    n-heptane 12.47
    ethyl formate 25.6
    1,2-dichloroethane 104.87
    n-hexanol 41.27
    2-methoxyethanol 31.62
    isobutyl acetate 64.45
    tetrachloromethane 51.51
    n-pentyl acetate 118.04
    transcutol 180.81
    n-heptanol 38.33
    ethylbenzene 58.2
    MIBK 76.87
    2-propoxyethanol 81.56
    tert-butanol 14.42
    MTBE 46.13
    2-butoxyethanol 82.09
    propionic acid 25.46
    o-xylene 68.67
    formic acid 5.37
    diethyl ether 70.43
    m-xylene 71.59
    p-xylene 59.59
    chlorobenzene 129.21
    dimethyl carbonate 29.27
    n-octane 4.26
    formamide 7.41
    cyclopentanone 172.13
    2-pentanone 88.59
    anisole 84.06
    cyclopentyl methyl ether 150.02
    gamma-butyrolactone 150.89
    1-methoxy-2-propanol 43.21
    pyridine 126.2
    3-pentanone 89.41
    furfural 100.49
    n-dodecane 2.48
    diethylene glycol 19.1
    diisopropyl ether 31.33
    tert-amyl alcohol 23.59
    acetylacetone 90.5
    n-hexadecane 3.06
    acetophenone 86.3
    methyl propionate 67.18
    isopentyl acetate 107.54
    trichloroethylene 208.07
    n-nonanol 33.12
    cyclohexanol 56.83
    benzyl alcohol 49.95
    2-ethylhexanol 43.64
    isooctanol 37.36
    dipropyl ether 71.41
    1,2-dichlorobenzene 121.47
    ethyl lactate 31.72
    propylene carbonate 91.77
    n-methylformamide 17.72
    2-pentanol 29.69
    n-pentane 12.41
    1-propoxy-2-propanol 73.97
    1-methoxy-2-propyl acetate 121.87
    2-(2-methoxypropoxy) propanol 72.43
    mesitylene 44.51
    ε-caprolactone 206.35
    p-cymene 41.62
    epichlorohydrin 163.02
    1,1,1-trichloroethane 118.01
    2-aminoethanol 4.92
    morpholine-4-carbaldehyde 116.21
    sulfolane 159.28
    2,2,4-trimethylpentane 8.63
    2-methyltetrahydrofuran 171.14
    n-hexyl acetate 109.66
    isooctane 5.56
    2-(2-butoxyethoxy)ethanol 86.5
    sec-butyl acetate 71.43
    tert-butyl acetate 92.74
    decalin 15.43
    glycerin 4.95
    diglyme 166.29
    acrylic acid 17.59
    isopropyl myristate 41.77
    n-butyric acid 70.37
    acetyl acetate 60.26
    di(2-ethylhexyl) phthalate 46.72
    ethyl propionate 74.69
    nitromethane 34.58
    1,2-diethoxyethane 90.62
    benzonitrile 45.83
    trioctyl phosphate 31.06
    1-bromopropane 97.83
    gamma-valerolactone 226.48
    n-decanol 20.78
    triethyl phosphate 54.25
    4-methyl-2-pentanol 26.01
    propionitrile 22.54
    vinylene carbonate 80.65
    1,1,2-trichlorotrifluoroethane 81.35
    DMS 63.75
    cumene 38.82
    2-octanol 24.53
    2-hexanone 75.77
    octyl acetate 50.78
    limonene 55.57
    1,2-dimethoxyethane 70.72
    ethyl orthosilicate 60.66
    tributyl phosphate 35.69
    diacetone alcohol 64.02
    N,N-dimethylaniline 60.83
    acrylonitrile 18.56
    aniline 73.02
    1,3-propanediol 14.85
    bromobenzene 160.75
    dibromomethane 142.43
    1,1,2,2-tetrachloroethane 174.78
    2-methyl-cyclohexyl acetate 92.18
    tetrabutyl urea 50.35
    diisobutyl methanol 28.5
    2-phenylethanol 65.24
    styrene 63.23
    dioctyl adipate 66.18
    dimethyl sulfate 50.29
    ethyl butyrate 92.18
    methyl lactate 25.6
    butyl lactate 73.59
    diethyl carbonate 54.0
    propanediol butyl ether 38.97
    triethyl orthoformate 85.72
    p-tert-butyltoluene 37.66
    methyl 4-tert-butylbenzoate 106.42
    morpholine 113.31
    tert-butylamine 13.11
    n-dodecanol 13.55
    dimethoxymethane 59.56
    ethylene carbonate 79.6
    cyrene 77.61
    2-ethoxyethyl acetate 143.08
    2-ethylhexyl acetate 103.58
    1,2,4-trichlorobenzene 147.35
    4-methylpyridine 129.93
    dibutyl ether 46.63
    2,6-dimethyl-4-heptanol 28.5
    DEF 101.61
    dimethyl isosorbide 146.7
    tetrachloroethylene 119.16
    eugenol 80.9
    triacetin 112.19
    span 80 69.25
    1,4-butanediol 6.16
    1,1-dichloroethane 93.86
    2-methyl-1-pentanol 39.53
    methyl formate 13.08
    2-methyl-1-butanol 42.18
    n-decane 6.23
    butyronitrile 31.55
    3,7-dimethyl-1-octanol 31.73
    1-chlorooctane 28.7
    1-chlorotetradecane 8.81
    n-nonane 5.11
    undecane 3.66
    tert-butylcyclohexane 10.85
    cyclooctane 11.89
    cyclopentanol 45.15
    tetrahydropyran 163.47
    tert-amyl methyl ether 55.8
    2,5,8-trioxanonane 99.36
    1-hexene 37.12
    2-isopropoxyethanol 40.68
    2,2,2-trifluoroethanol 14.74
    methyl butyrate 83.98

    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