Cholesterol Hydrocinnamate

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  • Identifiers

    CAS number
    14914-99-9

    Molecular formula
    C36H54O2

    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)CCC5=CC=CC=C5)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 71.47%
    Balsamic 49.96%
    Floral 46.45%
    Sandalwood 44.47%
    Waxy 40.85%
    Amber 40.5%
    Dry 33.24%
    Oily 33.23%
    Green 33.03%
    Vetiver 31.89%

     

    Flavor
    Woody 41.07%
    Herbal 28.68%
    Herb 28.24%
    Waxy 28.15%
    Wood 27.93%
    Balsam 27.48%
    Spice 23.97%
    Fruity 23.26%
    Mild 23.13%
    Balsamic 21.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.0

    pKa est.
    7.06 (neutral)

    Molecular weight
    518.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    577°C

    Flash point

    • 249.66 ˚C est.

  • Synonyms

    • Cholesterol Hydrocinnamate
    • 14914-99-9
    • Cholesterol 3-Phenylpropionate
    • Cholesteryl hydrocinnamate
    • Hydrocinnamic Acid Cholesterol Ester
    • 3-Phenylpropionic Acid Cholesterol Ester
    • [(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] 3-phenylpropanoate
    • [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
    • C36H54O2
    • MFCD00003640
    • Cholest-5-en-3-ol (3beta)-, 3-benzenepropanoate
    • SCHEMBL7787254
    • Cholesteryl hydrocinnamate, 97%
    • AKOS025294556
    • FC61965
    • CS-0183061
    • 3.beta.-(3-Phenylpropanoyloxy)cholest-5-ene
    • Cholest-5-en-3-ol (3.beta.)-, benzenepropanoate
    • [(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] 3-phenylpropanoate
    • 14914-99-9

  • Applications

    Cholesterol Hydrocinnamate (CAS 14914-99-9) is used in cosmetics and personal care as a skin-conditioning emollient and lipophilic agent that helps soften the skin and improve the texture of creams, lotions, and hair care products, and can act as a film-forming component in certain formulations. In the fragrance industry, it may serve as a fragrance carrier and may contribute to scent longevity by acting as a fixative. In pharmaceutical topical formulations, it can function as an excipient/vehicle to aid slip and dispersion of active ingredients in ointments and topical solutions. In industrial manufacturing, it may be used as an intermediate or specialty additive for lipid-based systems or in the synthesis of more complex cholesterol esters.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.27
    methanol 4.42
    isopropanol 5.6
    water 0.02
    ethyl acetate 19.84
    n-propanol 14.12
    acetone 11.88
    n-butanol 17.67
    acetonitrile 3.13
    DMF 12.83
    toluene 43.14
    isobutanol 10.14
    1,4-dioxane 32.49
    methyl acetate 11.55
    THF 56.86
    2-butanone 24.71
    n-pentanol 15.19
    sec-butanol 7.53
    n-hexane 1.83
    ethylene glycol 0.36
    NMP 36.33
    cyclohexane 3.26
    DMSO 6.07
    n-butyl acetate 25.04
    n-octanol 7.17
    chloroform 123.53
    n-propyl acetate 17.83
    acetic acid 8.1
    dichloromethane 87.33
    cyclohexanone 53.31
    propylene glycol 0.98
    isopropyl acetate 20.47
    DMAc 42.56
    2-ethoxyethanol 19.23
    isopentanol 15.68
    n-heptane 1.91
    ethyl formate 8.19
    1,2-dichloroethane 38.99
    n-hexanol 15.8
    2-methoxyethanol 16.11
    isobutyl acetate 18.14
    tetrachloromethane 15.36
    n-pentyl acetate 28.48
    transcutol 80.28
    n-heptanol 12.12
    ethylbenzene 17.52
    MIBK 22.09
    2-propoxyethanol 40.57
    tert-butanol 4.23
    MTBE 11.92
    2-butoxyethanol 31.83
    propionic acid 7.8
    o-xylene 19.16
    formic acid 2.36
    diethyl ether 22.01
    m-xylene 23.53
    p-xylene 16.61
    chlorobenzene 45.64
    dimethyl carbonate 8.66
    n-octane 0.57
    formamide 3.2
    cyclopentanone 42.27
    2-pentanone 26.07
    anisole 32.85
    cyclopentyl methyl ether 35.72
    gamma-butyrolactone 37.7
    1-methoxy-2-propanol 18.27
    pyridine 49.6
    3-pentanone 24.25
    furfural 35.02
    n-dodecane 0.36
    diethylene glycol 9.42
    diisopropyl ether 6.82
    tert-amyl alcohol 5.58
    acetylacetone 25.02
    n-hexadecane 0.45
    acetophenone 29.8
    methyl propionate 18.51
    isopentyl acetate 30.41
    trichloroethylene 93.88
    n-nonanol 9.09
    cyclohexanol 14.86
    benzyl alcohol 21.64
    2-ethylhexanol 12.49
    isooctanol 10.98
    dipropyl ether 18.96
    1,2-dichlorobenzene 40.7
    ethyl lactate 9.15
    propylene carbonate 22.31
    n-methylformamide 6.2
    2-pentanol 8.97
    n-pentane 1.87
    1-propoxy-2-propanol 28.82
    1-methoxy-2-propyl acetate 40.14
    2-(2-methoxypropoxy) propanol 26.23
    mesitylene 12.0
    ε-caprolactone 51.87
    p-cymene 11.06
    epichlorohydrin 58.84
    1,1,1-trichloroethane 34.33
    2-aminoethanol 2.26
    morpholine-4-carbaldehyde 40.72
    sulfolane 34.8
    2,2,4-trimethylpentane 1.36
    2-methyltetrahydrofuran 36.39
    n-hexyl acetate 25.95
    isooctane 0.99
    2-(2-butoxyethoxy)ethanol 34.57
    sec-butyl acetate 17.33
    tert-butyl acetate 22.73
    decalin 2.4
    glycerin 2.11
    diglyme 65.72
    acrylic acid 5.82
    isopropyl myristate 9.92
    n-butyric acid 22.63
    acetyl acetate 15.39
    di(2-ethylhexyl) phthalate 14.71
    ethyl propionate 17.26
    nitromethane 10.54
    1,2-diethoxyethane 30.78
    benzonitrile 17.02
    trioctyl phosphate 8.05
    1-bromopropane 31.92
    gamma-valerolactone 76.8
    n-decanol 5.57
    triethyl phosphate 13.91
    4-methyl-2-pentanol 8.11
    propionitrile 7.77
    vinylene carbonate 24.88
    1,1,2-trichlorotrifluoroethane 32.79
    DMS 16.99
    cumene 11.18
    2-octanol 5.91
    2-hexanone 22.42
    octyl acetate 12.3
    limonene 12.7
    1,2-dimethoxyethane 31.46
    ethyl orthosilicate 16.68
    tributyl phosphate 9.2
    diacetone alcohol 19.48
    N,N-dimethylaniline 21.28
    acrylonitrile 6.83
    aniline 27.36
    1,3-propanediol 7.1
    bromobenzene 54.08
    dibromomethane 60.78
    1,1,2,2-tetrachloroethane 68.23
    2-methyl-cyclohexyl acetate 25.89
    tetrabutyl urea 13.69
    diisobutyl methanol 7.1
    2-phenylethanol 26.5
    styrene 19.53
    dioctyl adipate 17.16
    dimethyl sulfate 13.36
    ethyl butyrate 23.39
    methyl lactate 8.06
    butyl lactate 20.19
    diethyl carbonate 13.84
    propanediol butyl ether 13.58
    triethyl orthoformate 24.31
    p-tert-butyltoluene 9.5
    methyl 4-tert-butylbenzoate 32.43
    morpholine 38.55
    tert-butylamine 3.37
    n-dodecanol 3.5
    dimethoxymethane 23.0
    ethylene carbonate 22.49
    cyrene 27.51
    2-ethoxyethyl acetate 43.16
    2-ethylhexyl acetate 28.18
    1,2,4-trichlorobenzene 49.49
    4-methylpyridine 48.45
    dibutyl ether 10.32
    2,6-dimethyl-4-heptanol 7.1
    DEF 26.32
    dimethyl isosorbide 49.56
    tetrachloroethylene 47.33
    eugenol 30.86
    triacetin 28.8
    span 80 22.0
    1,4-butanediol 2.78
    1,1-dichloroethane 32.78
    2-methyl-1-pentanol 14.84
    methyl formate 4.47
    2-methyl-1-butanol 15.47
    n-decane 0.92
    butyronitrile 11.33
    3,7-dimethyl-1-octanol 8.11
    1-chlorooctane 5.3
    1-chlorotetradecane 1.58
    n-nonane 0.73
    undecane 0.54
    tert-butylcyclohexane 1.83
    cyclooctane 1.54
    cyclopentanol 9.49
    tetrahydropyran 46.19
    tert-amyl methyl ether 12.69
    2,5,8-trioxanonane 38.71
    1-hexene 8.06
    2-isopropoxyethanol 16.89
    2,2,2-trifluoroethanol 4.47
    methyl butyrate 20.57

    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