Cholesteryl stearate

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  • Identifiers

    CAS number
    35602-69-8

    Molecular formula
    C45H80O2

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 67.47%
    Woody 51.2%
    Fatty 43.94%
    Oily 41.79%
    Balsamic 35.21%
    Sandalwood 33.02%
    Amber 27.91%
    Floral 23.79%
    Odorless 23.62%
    Sweet 22.73%

     

    Flavor
    Waxy 36.44%
    Mild 30.17%
    Bland 26.69%
    Fatty 24.8%
    Oily 23.91%
    Faint 23.83%
    Slightly waxy 22.25%
    Delicate 21.16%
    Odorless 20.74%
    Sandalwood 20.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.5

    pKa est.
    -77.69 (strong acid)

    Molecular weight
    653.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    622°C

    Flash point

    • -236.67 ˚C est.

  • Synonyms

    • Cholesteryl stearate
    • Cholesterol stearate
    • 35602-69-8
    • Cholesteryl octadecanoate
    • Cholestryl stearate
    • 18:0 Cholesteryl ester
    • CE(18:0)
    • cholest-5-en-3beta-yl octadecanoate
    • Cholest-5-en-3-ol-, octadecanoate
    • I1Q82N9DYQ
    • NIKKOL CS
    • DTXSID101018693
    • NSC-59693
    • [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate
    • CHEBI:82750
    • ((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl) octadecanoate
    • RefChem:125727
    • DTXCID601476737
    • 252-637-0
    • Cholesterol, stearate
    • Cholest-5-en-3-beta-yl stearate
    • cholest-5-en-3beta-yl stearate
    • 5-Cholesten-3.beta.-ol stearate
    • MFCD00003639
    • Cholest-5-en-3-ol (3.beta.)-, octadecanoate
    • 3beta-octadecanoyloxycholest-5-ene
    • C45H80O2
    • UNII-I1Q82N9DYQ
    • 5-Cholesten-3beta-yl octadecanoate
    • EINECS 252-637-0
    • NSC 59693
    • Cholestryl stearic acid
    • Cholesterol stearic acid
    • bmse000849
    • Cholesteryl stearate, 96%
    • Cholesteryl octadecanoic acid
    • Cholest-5-en-3b-yl stearate
    • SCHEMBL126915
    • Stearic Acid Cholesterol Ester
    • Cholest-5-en-3-b-yl stearate
    • orb2939668
    • 3b-Octadecanoyloxycholest-5-ene
    • Cholest-5-en-3b-yl octadecanoate
    • Cholest-5-en-3b-yl stearic acid
    • Cholest-5-en-3-b-yl stearic acid
    • Cholest-5-en-3-b-yl octadecanoate
    • NSC59693
    • Cholest-5-en-3-?-yl octadecanoate
    • Cholest-5-en-3beta-yl stearic acid
    • LMST01020007
    • 3.beta.-Octadecanoyloxycholest-5-ene
    • Cholest-5-en-3-beta-yl stearic acid
    • Cholest-5-en-3-beta-yl octadecanoate
    • Cholest-5-en-3b-yl octadecanoic acid
    • Cholest-5-en-3-b-yl octadecanoic acid
    • CS-W011411
    • FC29184
    • HY-W010695
    • STEARIC ACID, CHOLESTERYL ESTER
    • Cholest-5-en-3beta-yl octadecanoic acid
    • (3beta)-cholest-5-en-3-yl octadecanoate
    • Cholest-5-en-3-beta-yl octadecanoic acid
    • SY059898
    • Cholest-5-en-3-ol (3beta)-, octadecanoate
    • NS00013462
    • F81517
    • A874576
    • Q27156278
    • CHOLEST-5-EN-3-OL (3.BETA.)-, 3-OCTADECANOATE
    • [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate
    • cholest-5-en-3-beta-yl stearate; Cholesteryl octadecanoate~Octadecanoic acid cholesteryl ester~Stearic acid cholesteryl ester; Stearic acid cholesterol ester
    • 35602-69-8

  • Applications

    Cholesteryl stearate (CAS 35602-69-8) is a wax ester of cholesterol and stearic acid that is commonly used in cosmetics and personal care as an emollient, thickener, and structuring agent to build texture in creams, lotions, and lip products; in polymers and plastics, it serves as a wax-like processing aid to modify rheology, slip, and gloss during fabrication; in coatings and inks, it acts as a wax additive to improve gloss, water resistance, and surface feel; in household products, it is employed as a wax component in candles, polishes, and other care formulations; in fragrance/perfumery, it may be used as a carrier or matrix for fragrance oils to modulate release in cosmetic formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.74
    methanol 6.86
    isopropanol 13.83
    water 0.07
    ethyl acetate 82.73
    n-propanol 29.65
    acetone 41.75
    n-butanol 36.49
    acetonitrile 11.28
    DMF 45.71
    toluene 109.49
    isobutanol 25.93
    1,4-dioxane 87.59
    methyl acetate 44.15
    THF 195.7
    2-butanone 78.3
    n-pentanol 32.27
    sec-butanol 23.23
    n-hexane 12.87
    ethylene glycol 0.89
    NMP 177.7
    cyclohexane 25.62
    DMSO 24.9
    n-butyl acetate 99.01
    n-octanol 24.86
    chloroform 256.18
    n-propyl acetate 73.74
    acetic acid 25.78
    dichloromethane 210.98
    cyclohexanone 199.02
    propylene glycol 2.5
    isopropyl acetate 85.34
    DMAc 135.09
    2-ethoxyethanol 40.08
    isopentanol 35.82
    n-heptane 11.67
    ethyl formate 27.42
    1,2-dichloroethane 112.35
    n-hexanol 37.92
    2-methoxyethanol 30.12
    isobutyl acetate 65.78
    tetrachloromethane 57.4
    n-pentyl acetate 124.47
    transcutol 163.14
    n-heptanol 35.34
    ethylbenzene 56.81
    MIBK 74.54
    2-propoxyethanol 77.5
    tert-butanol 13.94
    MTBE 44.37
    2-butoxyethanol 79.78
    propionic acid 27.38
    o-xylene 68.74
    formic acid 5.59
    diethyl ether 68.57
    m-xylene 69.79
    p-xylene 60.16
    chlorobenzene 135.96
    dimethyl carbonate 32.67
    n-octane 3.92
    formamide 7.95
    cyclopentanone 182.01
    2-pentanone 90.72
    anisole 83.34
    cyclopentyl methyl ether 149.11
    gamma-butyrolactone 164.98
    1-methoxy-2-propanol 41.06
    pyridine 130.34
    3-pentanone 92.36
    furfural 107.34
    n-dodecane 2.2
    diethylene glycol 18.01
    diisopropyl ether 29.72
    tert-amyl alcohol 22.52
    acetylacetone 94.54
    n-hexadecane 2.72
    acetophenone 90.19
    methyl propionate 73.49
    isopentyl acetate 106.15
    trichloroethylene 232.07
    n-nonanol 30.52
    cyclohexanol 54.11
    benzyl alcohol 49.19
    2-ethylhexanol 39.8
    isooctanol 35.0
    dipropyl ether 70.63
    1,2-dichlorobenzene 129.23
    ethyl lactate 32.71
    propylene carbonate 99.23
    n-methylformamide 19.58
    2-pentanol 28.08
    n-pentane 12.06
    1-propoxy-2-propanol 70.88
    1-methoxy-2-propyl acetate 123.56
    2-(2-methoxypropoxy) propanol 68.72
    mesitylene 42.66
    ε-caprolactone 213.28
    p-cymene 39.69
    epichlorohydrin 173.24
    1,1,1-trichloroethane 132.27
    2-aminoethanol 4.87
    morpholine-4-carbaldehyde 123.64
    sulfolane 172.01
    2,2,4-trimethylpentane 8.05
    2-methyltetrahydrofuran 167.79
    n-hexyl acetate 110.02
    isooctane 4.97
    2-(2-butoxyethoxy)ethanol 80.49
    sec-butyl acetate 73.42
    tert-butyl acetate 90.5
    decalin 14.43
    glycerin 4.86
    diglyme 162.8
    acrylic acid 19.22
    isopropyl myristate 40.15
    n-butyric acid 72.9
    acetyl acetate 64.37
    di(2-ethylhexyl) phthalate 46.09
    ethyl propionate 79.46
    nitromethane 38.59
    1,2-diethoxyethane 87.84
    benzonitrile 48.13
    trioctyl phosphate 30.38
    1-bromopropane 99.87
    gamma-valerolactone 234.47
    n-decanol 18.76
    triethyl phosphate 55.12
    4-methyl-2-pentanol 23.94
    propionitrile 24.39
    vinylene carbonate 88.79
    1,1,2-trichlorotrifluoroethane 86.62
    DMS 68.69
    cumene 37.53
    2-octanol 23.17
    2-hexanone 77.95
    octyl acetate 49.73
    limonene 52.14
    1,2-dimethoxyethane 71.33
    ethyl orthosilicate 60.5
    tributyl phosphate 36.02
    diacetone alcohol 62.22
    N,N-dimethylaniline 60.58
    acrylonitrile 20.2
    aniline 72.11
    1,3-propanediol 14.14
    bromobenzene 168.48
    dibromomethane 154.54
    1,1,2,2-tetrachloroethane 194.42
    2-methyl-cyclohexyl acetate 91.8
    tetrabutyl urea 49.75
    diisobutyl methanol 25.83
    2-phenylethanol 61.1
    styrene 61.6
    dioctyl adipate 65.48
    dimethyl sulfate 57.76
    ethyl butyrate 93.45
    methyl lactate 26.71
    butyl lactate 75.26
    diethyl carbonate 55.7
    propanediol butyl ether 36.27
    triethyl orthoformate 86.75
    p-tert-butyltoluene 35.78
    methyl 4-tert-butylbenzoate 107.08
    morpholine 109.08
    tert-butylamine 12.62
    n-dodecanol 12.19
    dimethoxymethane 60.0
    ethylene carbonate 87.22
    cyrene 78.41
    2-ethoxyethyl acetate 149.59
    2-ethylhexyl acetate 104.08
    1,2,4-trichlorobenzene 158.97
    4-methylpyridine 133.12
    dibutyl ether 44.86
    2,6-dimethyl-4-heptanol 25.83
    DEF 105.66
    dimethyl isosorbide 144.99
    tetrachloroethylene 130.06
    eugenol 81.0
    triacetin 117.56
    span 80 66.28
    1,4-butanediol 6.05
    1,1-dichloroethane 102.72
    2-methyl-1-pentanol 37.57
    methyl formate 14.63
    2-methyl-1-butanol 40.29
    n-decane 5.63
    butyronitrile 32.54
    3,7-dimethyl-1-octanol 28.97
    1-chlorooctane 27.19
    1-chlorotetradecane 8.12
    n-nonane 4.68
    undecane 3.25
    tert-butylcyclohexane 10.24
    cyclooctane 11.15
    cyclopentanol 45.48
    tetrahydropyran 155.93
    tert-amyl methyl ether 54.06
    2,5,8-trioxanonane 96.08
    1-hexene 37.04
    2-isopropoxyethanol 39.96
    2,2,2-trifluoroethanol 16.54
    methyl butyrate 89.78

    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