Dihydrocholesteryl butyrate

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  • Identifiers

    CAS number
    59000-59-8

    Molecular formula
    C31H54O2

    SMILES
    CCCC(=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

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  • Odor profile

    Fragrance
    Woody 81.82%
    Amber 47.37%
    Sandalwood 45.91%
    Balsamic 45.61%
    Dry 40.1%
    Waxy 39.62%
    Cedar 37.77%
    Vetiver 36.2%
    Floral 35.91%
    Oily 34.91%

     

    Flavor
    Woody 32.15%
    Waxy 30.83%
    Mild 26.67%
    Herb 24.19%
    Balsam 23.28%
    Wood 22.74%
    Fruity 22.7%
    Herbal 22.4%
    Sweet 22.05%
    Sandalwood 21.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.8

    pKa est.
    7.1 (neutral)

    Molecular weight
    458.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    491°C

    Flash point

    • 226.49 ˚C est.

  • Synonyms

    • Dihydrocholesteryl butyrate
    • Cholestanol butyrate
    • UNII-7FB1F45YO8
    • 7FB1F45YO8
    • (3beta,5alpha)-3-Cholestanyl butyrate
    • Cholestan-3-ol, butanoate, (3beta,5alpha)-
    • 59000-59-8
    • Cholestan-3-ol, 3-butanoate, (3beta,5alpha)-
    • DTXSID10207745
    • (3.BETA.,5.ALPHA.)-3-CHOLESTANYL BUTYRATE
    • CHOLESTAN-3-OL, BUTANOATE, (3.BETA.,5.ALPHA.)-
    • CHOLESTAN-3-OL, 3-BUTANOATE, (3.BETA.,5.ALPHA.)-
    • RefChem:133760
    • DTXCID60130236
    • DIHYDROCHOLESTERYL BUTYRATE [INCI]
    • SCHEMBL4738056
    • 5alpha-Cholestan-3beta-yl butanoate
    • Q27268191
    • 59000-59-8

  • Applications

    Dihydrocholesteryl butyrate (CAS 59000-59-8) is a waxy lipid ester that is often used in cosmetics and personal care as an emollient and structuring ingredient in creams, lotions, and lip products; in perfumery, it can serve as a fragrance oil carrier or as a waxy matrix that helps stabilize volatile odor components; in coatings and inks, it may function as a wax-like lipid additive to improve lubricity and texture; in polymers and plastics, it can be evaluated as an additive to modify processing behavior or crystallinity; in pharmaceutical contexts, it may be used as a lipid-based carrier or excipient in limited formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.38
    methanol 9.91
    isopropanol 32.07
    water 0.11
    ethyl acetate 83.89
    n-propanol 51.93
    acetone 65.89
    n-butanol 62.51
    acetonitrile 18.72
    DMF 48.43
    toluene 145.43
    isobutanol 43.85
    1,4-dioxane 146.71
    methyl acetate 47.04
    THF 312.03
    2-butanone 85.7
    n-pentanol 46.31
    sec-butanol 31.45
    n-hexane 8.1
    ethylene glycol 1.45
    NMP 129.74
    cyclohexane 21.76
    DMSO 27.51
    n-butyl acetate 98.94
    n-octanol 29.33
    chloroform 254.31
    n-propyl acetate 71.14
    acetic acid 29.86
    dichloromethane 190.5
    cyclohexanone 197.0
    propylene glycol 4.07
    isopropyl acetate 97.58
    DMAc 107.17
    2-ethoxyethanol 59.16
    isopentanol 61.27
    n-heptane 7.78
    ethyl formate 29.57
    1,2-dichloroethane 114.27
    n-hexanol 56.1
    2-methoxyethanol 52.38
    isobutyl acetate 77.18
    tetrachloromethane 46.58
    n-pentyl acetate 108.16
    transcutol 268.94
    n-heptanol 43.89
    ethylbenzene 55.82
    MIBK 93.26
    2-propoxyethanol 121.4
    tert-butanol 26.36
    MTBE 56.2
    2-butoxyethanol 98.48
    propionic acid 30.2
    o-xylene 71.27
    formic acid 6.07
    diethyl ether 93.13
    m-xylene 91.05
    p-xylene 63.06
    chlorobenzene 145.04
    dimethyl carbonate 30.05
    n-octane 2.46
    formamide 8.88
    cyclopentanone 192.07
    2-pentanone 102.05
    anisole 94.48
    cyclopentyl methyl ether 158.94
    gamma-butyrolactone 156.61
    1-methoxy-2-propanol 71.84
    pyridine 158.66
    3-pentanone 85.05
    furfural 120.18
    n-dodecane 1.64
    diethylene glycol 35.81
    diisopropyl ether 35.53
    tert-amyl alcohol 26.55
    acetylacetone 115.19
    n-hexadecane 2.04
    acetophenone 89.2
    methyl propionate 67.42
    isopentyl acetate 117.69
    trichloroethylene 219.04
    n-nonanol 33.65
    cyclohexanol 66.57
    benzyl alcohol 65.01
    2-ethylhexanol 46.26
    isooctanol 41.55
    dipropyl ether 66.86
    1,2-dichlorobenzene 123.83
    ethyl lactate 34.13
    propylene carbonate 93.3
    n-methylformamide 19.65
    2-pentanol 38.73
    n-pentane 9.51
    1-propoxy-2-propanol 100.0
    1-methoxy-2-propyl acetate 143.4
    2-(2-methoxypropoxy) propanol 79.74
    mesitylene 52.23
    ε-caprolactone 187.43
    p-cymene 41.61
    epichlorohydrin 183.86
    1,1,1-trichloroethane 118.47
    2-aminoethanol 8.37
    morpholine-4-carbaldehyde 131.16
    sulfolane 145.58
    2,2,4-trimethylpentane 6.16
    2-methyltetrahydrofuran 187.94
    n-hexyl acetate 103.69
    isooctane 5.13
    2-(2-butoxyethoxy)ethanol 113.84
    sec-butyl acetate 70.94
    tert-butyl acetate 105.06
    decalin 11.29
    glycerin 7.95
    diglyme 208.32
    acrylic acid 21.24
    isopropyl myristate 39.16
    n-butyric acid 79.39
    acetyl acetate 70.75
    di(2-ethylhexyl) phthalate 48.76
    ethyl propionate 68.04
    nitromethane 42.06
    1,2-diethoxyethane 109.93
    benzonitrile 69.09
    trioctyl phosphate 31.83
    1-bromopropane 85.87
    gamma-valerolactone 269.34
    n-decanol 21.51
    triethyl phosphate 46.95
    4-methyl-2-pentanol 34.84
    propionitrile 32.44
    vinylene carbonate 85.88
    1,1,2-trichlorotrifluoroethane 86.65
    DMS 65.54
    cumene 37.47
    2-octanol 25.03
    2-hexanone 77.47
    octyl acetate 48.55
    limonene 50.54
    1,2-dimethoxyethane 98.54
    ethyl orthosilicate 53.36
    tributyl phosphate 35.35
    diacetone alcohol 78.7
    N,N-dimethylaniline 61.0
    acrylonitrile 28.21
    aniline 95.67
    1,3-propanediol 26.75
    bromobenzene 165.07
    dibromomethane 139.81
    1,1,2,2-tetrachloroethane 169.74
    2-methyl-cyclohexyl acetate 88.45
    tetrabutyl urea 47.12
    diisobutyl methanol 30.18
    2-phenylethanol 85.99
    styrene 63.7
    dioctyl adipate 63.03
    dimethyl sulfate 43.93
    ethyl butyrate 85.95
    methyl lactate 28.2
    butyl lactate 72.59
    diethyl carbonate 52.39
    propanediol butyl ether 52.98
    triethyl orthoformate 80.44
    p-tert-butyltoluene 37.54
    methyl 4-tert-butylbenzoate 106.73
    morpholine 164.48
    tert-butylamine 21.41
    n-dodecanol 14.22
    dimethoxymethane 85.78
    ethylene carbonate 81.87
    cyrene 83.18
    2-ethoxyethyl acetate 147.56
    2-ethylhexyl acetate 102.34
    1,2,4-trichlorobenzene 149.57
    4-methylpyridine 155.71
    dibutyl ether 42.22
    2,6-dimethyl-4-heptanol 30.18
    DEF 92.26
    dimethyl isosorbide 155.68
    tetrachloroethylene 118.02
    eugenol 90.1
    triacetin 109.84
    span 80 73.42
    1,4-butanediol 11.02
    1,1-dichloroethane 102.46
    2-methyl-1-pentanol 48.36
    methyl formate 14.7
    2-methyl-1-butanol 55.01
    n-decane 4.04
    butyronitrile 46.39
    3,7-dimethyl-1-octanol 34.42
    1-chlorooctane 22.89
    1-chlorotetradecane 7.07
    n-nonane 3.23
    undecane 2.4
    tert-butylcyclohexane 8.28
    cyclooctane 7.9
    cyclopentanol 55.18
    tetrahydropyran 205.67
    tert-amyl methyl ether 50.24
    2,5,8-trioxanonane 116.6
    1-hexene 29.43
    2-isopropoxyethanol 58.2
    2,2,2-trifluoroethanol 16.94
    methyl butyrate 76.79

    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