Cholesterol, 5-methyl-1-hexanoate

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  • Identifiers

    CAS number
    63019-46-5

    Molecular formula
    C34H58O2

    SMILES
    C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCCC(C)C)C)C

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  • Odor profile

    Fragrance
    Woody 81.3%
    Sandalwood 48.37%
    Balsamic 47.61%
    Amber 44.07%
    Waxy 42.89%
    Dry 37.53%
    Herbal 37.05%
    Vetiver 36.43%
    Floral 35.57%
    Oily 35.06%

     

    Flavor
    Woody 39.07%
    Herbal 27.19%
    Wood 25.69%
    Mild 25.48%
    Waxy 25.4%
    Herb 25.11%
    Spice 24.16%
    Sandalwood 21.43%
    Balsam 20.52%
    Cedarleaf 20.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.3

    pKa est.
    7.23 (neutral)

    Molecular weight
    498.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    517°C

    Flash point

    • 235.36 ˚C est.

  • Synonyms

    • 63019-46-5
    • Cholesterol isoheptylate
    • Cholesterol, 5-methyl-1-hexanoate
    • BRN 3176523
    • Cholest-5-en-3-ol (3-beta)-, 5-methylhexanoate
    • 4-06-00-04007 (Beilstein Handbook Reference)
    • DTXSID60978913
    • Cholest-5-en-3-yl 5-methylhexanoate
    • Cholest-5-en-3beta-yl 5-methylhexanoate
    • 63019-46-5

  • Applications

    Cholesterol, 5-methyl-1-hexanoate (CAS 63019-46-5) is a cholesteryl ester that can serve as a lipophilic component in cosmetic and personal-care formulations, acting as an emollient and conditioning lipid, and as a structuring wax in creams and balms. It is also encountered as a specialty lipid intermediate and additive in industrial manufacturing, including as a wax-like additive in coatings and inks to modify texture and gloss. In polymer and plastics formulations, it may function as a minor plasticizer or stabilizing lipid, influencing compatibility and crystallinity of lipid-based or biobased polymers. In pharmaceutical formulation research, it may be explored as an excipient or lipid-based carrier component for liposome or nanoparticle systems, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.59
    methanol 5.59
    isopropanol 14.63
    water 0.04
    ethyl acetate 58.68
    n-propanol 30.02
    acetone 29.31
    n-butanol 38.49
    acetonitrile 7.29
    DMF 33.44
    toluene 99.53
    isobutanol 25.43
    1,4-dioxane 80.19
    methyl acetate 30.31
    THF 164.48
    2-butanone 56.33
    n-pentanol 32.24
    sec-butanol 20.1
    n-hexane 7.64
    ethylene glycol 0.67
    NMP 116.77
    cyclohexane 14.26
    DMSO 14.47
    n-butyl acetate 70.07
    n-octanol 21.58
    chloroform 179.71
    n-propyl acetate 49.76
    acetic acid 19.19
    dichloromethane 131.01
    cyclohexanone 132.09
    propylene glycol 2.18
    isopropyl acetate 64.86
    DMAc 99.99
    2-ethoxyethanol 38.47
    isopentanol 37.26
    n-heptane 7.02
    ethyl formate 17.46
    1,2-dichloroethane 73.0
    n-hexanol 39.66
    2-methoxyethanol 31.67
    isobutyl acetate 51.12
    tetrachloromethane 32.89
    n-pentyl acetate 80.87
    transcutol 192.98
    n-heptanol 31.88
    ethylbenzene 43.1
    MIBK 59.94
    2-propoxyethanol 87.67
    tert-butanol 12.58
    MTBE 37.67
    2-butoxyethanol 71.93
    propionic acid 19.58
    o-xylene 52.09
    formic acid 4.13
    diethyl ether 61.13
    m-xylene 63.79
    p-xylene 45.24
    chlorobenzene 94.2
    dimethyl carbonate 21.01
    n-octane 2.11
    formamide 5.62
    cyclopentanone 118.4
    2-pentanone 67.65
    anisole 68.42
    cyclopentyl methyl ether 116.85
    gamma-butyrolactone 104.39
    1-methoxy-2-propanol 43.58
    pyridine 97.86
    3-pentanone 62.93
    furfural 73.46
    n-dodecane 1.28
    diethylene glycol 20.17
    diisopropyl ether 24.47
    tert-amyl alcohol 17.98
    acetylacetone 67.77
    n-hexadecane 1.59
    acetophenone 65.64
    methyl propionate 51.09
    isopentyl acetate 81.92
    trichloroethylene 152.21
    n-nonanol 25.52
    cyclohexanol 44.06
    benzyl alcohol 41.98
    2-ethylhexanol 34.58
    isooctanol 29.35
    dipropyl ether 51.55
    1,2-dichlorobenzene 85.6
    ethyl lactate 23.25
    propylene carbonate 62.7
    n-methylformamide 13.03
    2-pentanol 26.35
    n-pentane 7.55
    1-propoxy-2-propanol 71.37
    1-methoxy-2-propyl acetate 99.12
    2-(2-methoxypropoxy) propanol 63.2
    mesitylene 35.82
    ε-caprolactone 141.36
    p-cymene 29.41
    epichlorohydrin 124.37
    1,1,1-trichloroethane 80.72
    2-aminoethanol 4.5
    morpholine-4-carbaldehyde 102.09
    sulfolane 99.48
    2,2,4-trimethylpentane 5.43
    2-methyltetrahydrofuran 128.18
    n-hexyl acetate 78.48
    isooctane 3.83
    2-(2-butoxyethoxy)ethanol 82.63
    sec-butyl acetate 51.85
    tert-butyl acetate 68.39
    decalin 8.93
    glycerin 4.52
    diglyme 149.75
    acrylic acid 13.34
    isopropyl myristate 29.51
    n-butyric acid 55.66
    acetyl acetate 45.99
    di(2-ethylhexyl) phthalate 36.52
    ethyl propionate 50.09
    nitromethane 25.77
    1,2-diethoxyethane 79.18
    benzonitrile 36.56
    trioctyl phosphate 23.19
    1-bromopropane 66.56
    gamma-valerolactone 178.95
    n-decanol 16.0
    triethyl phosphate 35.38
    4-methyl-2-pentanol 23.43
    propionitrile 16.66
    vinylene carbonate 57.78
    1,1,2-trichlorotrifluoroethane 61.56
    DMS 46.98
    cumene 28.51
    2-octanol 18.1
    2-hexanone 55.28
    octyl acetate 36.33
    limonene 37.45
    1,2-dimethoxyethane 63.49
    ethyl orthosilicate 41.58
    tributyl phosphate 25.88
    diacetone alcohol 51.85
    N,N-dimethylaniline 49.24
    acrylonitrile 14.05
    aniline 61.35
    1,3-propanediol 14.62
    bromobenzene 111.38
    dibromomethane 97.4
    1,1,2,2-tetrachloroethane 123.64
    2-methyl-cyclohexyl acetate 65.99
    tetrabutyl urea 37.25
    diisobutyl methanol 20.34
    2-phenylethanol 57.28
    styrene 45.76
    dioctyl adipate 47.96
    dimethyl sulfate 33.65
    ethyl butyrate 62.69
    methyl lactate 19.62
    butyl lactate 53.71
    diethyl carbonate 36.45
    propanediol butyl ether 34.93
    triethyl orthoformate 61.75
    p-tert-butyltoluene 26.69
    methyl 4-tert-butylbenzoate 79.83
    morpholine 102.05
    tert-butylamine 11.25
    n-dodecanol 10.18
    dimethoxymethane 51.27
    ethylene carbonate 55.64
    cyrene 64.05
    2-ethoxyethyl acetate 106.44
    2-ethylhexyl acetate 75.32
    1,2,4-trichlorobenzene 107.33
    4-methylpyridine 106.06
    dibutyl ether 31.78
    2,6-dimethyl-4-heptanol 20.34
    DEF 75.28
    dimethyl isosorbide 121.75
    tetrachloroethylene 85.25
    eugenol 66.56
    triacetin 81.95
    span 80 58.5
    1,4-butanediol 5.76
    1,1-dichloroethane 67.66
    2-methyl-1-pentanol 34.39
    methyl formate 8.89
    2-methyl-1-butanol 38.17
    n-decane 3.29
    butyronitrile 25.79
    3,7-dimethyl-1-octanol 24.26
    1-chlorooctane 17.95
    1-chlorotetradecane 5.31
    n-nonane 2.69
    undecane 1.9
    tert-butylcyclohexane 6.71
    cyclooctane 6.2
    cyclopentanol 33.43
    tetrahydropyran 125.92
    tert-amyl methyl ether 41.27
    2,5,8-trioxanonane 86.61
    1-hexene 25.67
    2-isopropoxyethanol 39.08
    2,2,2-trifluoroethanol 10.81
    methyl butyrate 56.81

    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