Cholesteryl butyrate

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  • Identifiers

    CAS number
    521-13-1

    Molecular formula
    C31H52O2

    SMILES
    CCCC(=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
    Woody 83.32%
    Sandalwood 47.88%
    Amber 46.95%
    Balsamic 45.44%
    Dry 39.71%
    Waxy 39.07%
    Cedar 37.42%
    Floral 36.39%
    Vetiver 36.2%
    Oily 34.39%

     

    Flavor
    Woody 38.8%
    Waxy 28.96%
    Herbal 27.25%
    Wood 27.05%
    Herb 26.95%
    Mild 25.93%
    Balsam 24.51%
    Fruity 23.79%
    Spice 22.58%
    Sandalwood 22.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.9

    pKa est.
    7.04 (neutral)

    Molecular weight
    456.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    492°C

    Flash point

    • 228.59 ˚C est.

  • Synonyms

    • Cholesteryl butyrate
    • 521-13-1
    • Cholesteryl butanoate
    • 50QA4YCP7F
    • DTXSID101341216
    • Cholest-5-en-3-ol (3beta)-, butanoate
    • cholesterylbutyrate
    • cholesterylbutanoate
    • RefChem:918537
    • DTXCID001474440
    • 208-304-7
    • cholesteryl n-butyrate
    • Cholesterol Butyrate
    • MFCD00021144
    • Butyric Acid Cholesterol Ester
    • Cholesterol n-butyrate
    • Cholest-5-en-3-ol (3.beta.)-, butanoate
    • [(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] butanoate
    • UNII-50QA4YCP7F
    • 3beta-Hydroxy-5-cholestene 3-butyrate
    • Cholest-5-en-3beta-ol butyrate
    • cholesteryln-butyrate
    • EINECS 208-304-7
    • CHOLESTEROL 3-BUTYRATE
    • SCHEMBL161977
    • orb2939817
    • n-butyric acid cholesterol ester
    • 3.beta.-Butanoyloxycholest-5-ene
    • 5-Cholesten-3.beta.-ol butyrate
    • AKOS015839529
    • BUTYRIC ACID, CHOLESTERYL ESTER
    • CS-W013838
    • FC61967
    • HY-W013122
    • [(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] butanoate
    • AS-57753
    • CHOLEST-5-EN-3-BETA-YL BUTANOATE
    • SY059923
    • Cholest-5-en-3-ol (3beta)-, 3-butanoate
    • NS00013456
    • D95327
    • 3.BETA.-HYDROXY-5-CHOLESTENE 3-BUTYRATE
    • 521C131
    • Q27260812
    • 521-13-1

  • Applications

    Cholesteryl butyrate is a wax-like cholesteryl ester of cholesterol and butyric acid. It is commonly used in cosmetics and pharmaceutical lipid formulations. In cosmetics/personal care, it acts as a skin-conditioning lipid and structuring agent, improving emollience, texture, and the stability of creams and lotions. In perfumery, its waxy character can function as a fragrance carrier or fixative, helping to extend scent life. In pharmaceutical applications, it is evaluated as a lipid excipient and a component of lipid-based delivery systems such as liposomes and emulsions for lipophilic drugs. In materials applications, it may serve as a rheology modifier or gloss-enhancing additive in waxy coatings and related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.46
    methanol 7.22
    isopropanol 26.81
    water 0.05
    ethyl acetate 66.29
    n-propanol 46.31
    acetone 43.72
    n-butanol 59.95
    acetonitrile 12.42
    DMF 34.63
    toluene 142.78
    isobutanol 39.65
    1,4-dioxane 108.42
    methyl acetate 34.84
    THF 193.52
    2-butanone 69.04
    n-pentanol 45.65
    sec-butanol 29.26
    n-hexane 8.18
    ethylene glycol 0.95
    NMP 100.59
    cyclohexane 21.47
    DMSO 16.48
    n-butyl acetate 79.52
    n-octanol 24.9
    chloroform 211.56
    n-propyl acetate 54.98
    acetic acid 20.66
    dichloromethane 152.28
    cyclohexanone 156.66
    propylene glycol 2.95
    isopropyl acetate 73.9
    DMAc 89.85
    2-ethoxyethanol 48.26
    isopentanol 58.37
    n-heptane 7.39
    ethyl formate 20.57
    1,2-dichloroethane 89.82
    n-hexanol 54.19
    2-methoxyethanol 39.96
    isobutyl acetate 59.46
    tetrachloromethane 37.06
    n-pentyl acetate 84.43
    transcutol 235.04
    n-heptanol 38.77
    ethylbenzene 52.55
    MIBK 76.48
    2-propoxyethanol 109.05
    tert-butanol 20.7
    MTBE 47.5
    2-butoxyethanol 81.07
    propionic acid 21.91
    o-xylene 66.86
    formic acid 4.25
    diethyl ether 82.92
    m-xylene 87.2
    p-xylene 56.24
    chlorobenzene 118.32
    dimethyl carbonate 21.23
    n-octane 2.08
    formamide 6.1
    cyclopentanone 132.59
    2-pentanone 83.41
    anisole 82.6
    cyclopentyl methyl ether 128.13
    gamma-butyrolactone 102.27
    1-methoxy-2-propanol 56.43
    pyridine 126.77
    3-pentanone 72.62
    furfural 82.41
    n-dodecane 1.37
    diethylene glycol 28.61
    diisopropyl ether 30.86
    tert-amyl alcohol 22.88
    acetylacetone 82.09
    n-hexadecane 1.71
    acetophenone 75.32
    methyl propionate 53.13
    isopentyl acetate 97.13
    trichloroethylene 175.96
    n-nonanol 29.3
    cyclohexanol 61.77
    benzyl alcohol 56.74
    2-ethylhexanol 43.85
    isooctanol 35.79
    dipropyl ether 58.46
    1,2-dichlorobenzene 100.85
    ethyl lactate 25.92
    propylene carbonate 62.46
    n-methylformamide 13.47
    2-pentanol 37.95
    n-pentane 10.11
    1-propoxy-2-propanol 86.1
    1-methoxy-2-propyl acetate 115.31
    2-(2-methoxypropoxy) propanol 69.39
    mesitylene 48.06
    ε-caprolactone 148.29
    p-cymene 36.51
    epichlorohydrin 133.48
    1,1,1-trichloroethane 89.65
    2-aminoethanol 6.01
    morpholine-4-carbaldehyde 102.2
    sulfolane 94.49
    2,2,4-trimethylpentane 5.92
    2-methyltetrahydrofuran 143.0
    n-hexyl acetate 83.17
    isooctane 4.74
    2-(2-butoxyethoxy)ethanol 97.22
    sec-butyl acetate 56.31
    tert-butyl acetate 77.85
    decalin 10.69
    glycerin 5.85
    diglyme 167.58
    acrylic acid 14.79
    isopropyl myristate 32.39
    n-butyric acid 61.91
    acetyl acetate 50.26
    di(2-ethylhexyl) phthalate 41.18
    ethyl propionate 52.35
    nitromethane 26.65
    1,2-diethoxyethane 93.42
    benzonitrile 54.28
    trioctyl phosphate 26.07
    1-bromopropane 82.18
    gamma-valerolactone 190.4
    n-decanol 18.86
    triethyl phosphate 37.98
    4-methyl-2-pentanol 32.85
    propionitrile 25.98
    vinylene carbonate 58.79
    1,1,2-trichlorotrifluoroethane 65.67
    DMS 50.17
    cumene 34.62
    2-octanol 21.2
    2-hexanone 64.36
    octyl acetate 39.96
    limonene 45.42
    1,2-dimethoxyethane 78.15
    ethyl orthosilicate 44.51
    tributyl phosphate 28.96
    diacetone alcohol 61.92
    N,N-dimethylaniline 56.01
    acrylonitrile 21.22
    aniline 85.48
    1,3-propanediol 21.07
    bromobenzene 139.59
    dibromomethane 118.26
    1,1,2,2-tetrachloroethane 138.62
    2-methyl-cyclohexyl acetate 73.2
    tetrabutyl urea 40.19
    diisobutyl methanol 26.24
    2-phenylethanol 76.86
    styrene 58.98
    dioctyl adipate 51.94
    dimethyl sulfate 30.04
    ethyl butyrate 67.46
    methyl lactate 21.09
    butyl lactate 57.7
    diethyl carbonate 40.36
    propanediol butyl ether 42.37
    triethyl orthoformate 65.92
    p-tert-butyltoluene 32.15
    methyl 4-tert-butylbenzoate 86.22
    morpholine 129.19
    tert-butylamine 18.09
    n-dodecanol 12.29
    dimethoxymethane 62.42
    ethylene carbonate 57.23
    cyrene 71.1
    2-ethoxyethyl acetate 116.58
    2-ethylhexyl acetate 85.49
    1,2,4-trichlorobenzene 120.45
    4-methylpyridine 130.44
    dibutyl ether 34.96
    2,6-dimethyl-4-heptanol 26.24
    DEF 77.5
    dimethyl isosorbide 126.5
    tetrachloroethylene 95.96
    eugenol 77.65
    triacetin 84.71
    span 80 63.99
    1,4-butanediol 8.67
    1,1-dichloroethane 83.01
    2-methyl-1-pentanol 48.16
    methyl formate 9.46
    2-methyl-1-butanol 54.73
    n-decane 3.38
    butyronitrile 38.86
    3,7-dimethyl-1-octanol 29.7
    1-chlorooctane 19.23
    1-chlorotetradecane 6.03
    n-nonane 2.73
    undecane 2.01
    tert-butylcyclohexane 7.57
    cyclooctane 7.79
    cyclopentanol 41.89
    tetrahydropyran 169.65
    tert-amyl methyl ether 44.38
    2,5,8-trioxanonane 97.83
    1-hexene 29.85
    2-isopropoxyethanol 48.91
    2,2,2-trifluoroethanol 10.84
    methyl butyrate 57.97

    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