Faradiol 3-palmitate

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  • Identifiers

    CAS number
    193690-84-5

    Molecular formula
    C46H80O3

    SMILES
    CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](C(=CC[C@@]5([C@H](C[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)O)C)C)C)C

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  • Odor profile

    Fragrance
    Woody 78.88%
    Sandalwood 53.5%
    Amber 47.42%
    Waxy 44.46%
    Balsamic 41.19%
    Dry 37.58%
    Cedar 34.13%
    Vetiver 32.43%
    Oily 31.2%
    Musk 30.99%

     

    Flavor
    Woody 50.9%
    Balsam 33.09%
    Waxy 29.52%
    Mild 28.49%
    Wood 27.3%
    Herbal 26.96%
    Sweet 26.93%
    Pine 24.85%
    Sandalwood 23.38%
    Herb 22.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.4

    pKa est.
    -30.66 (strong acid)

    Molecular weight
    681.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    708°C

    Flash point

    • -23.75 ˚C est.

  • Synonyms

    • Faradiol 3-palmitate
    • Faradiol-3-o-palmitate
    • DGE7WPP4LD
    • Faradiol 3-monopalmitate
    • ((3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-8-Hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl) hexadecanoate
    • RefChem:36740
    • 193690-84-5
    • UNII-DGE7WPP4LD
    • URS-20-ene-3,16-diol, 3-hexadecanoate, (3beta,16beta,18alpha,19alpha)-
    • DTXSID401200538
    • 16beta-Hydroxy-18alpha,19alpha-urs-20-en-3beta-yl hexadecanoate
    • URS-20-ENE-3,16-DIOL, 3-HEXADECANOATE, (3.BETA.,16.BETA.,18.ALPHA.,19.ALPHA.)-
    • Urs-20-ene-3,16-diol, 3-hexadecanoate, (3I(2),16I(2),18I+/-,19I+/-)-
    • 193690-84-5

  • Applications

    Faradiol 3-palmitate (CAS 193690-84-5) is a lipophilic ester that may find use in cosmetics and personal care as an emollient and skin-conditioning agent; in perfumery, it may be evaluated as a natural fragrance ingredient or a fragrance fixative; in polymers/plastics and coatings/inks, it can act as a waxy ester and processing aid to improve gloss and processability of formulations; in industrial manufacturing, it can serve as an intermediate for synthesizing more complex triterpene derivatives for specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.87
    methanol 3.21
    isopropanol 5.08
    water 0.01
    ethyl acetate 12.15
    n-propanol 11.02
    acetone 10.97
    n-butanol 11.25
    acetonitrile 2.87
    DMF 23.25
    toluene 20.91
    isobutanol 8.53
    1,4-dioxane 26.38
    methyl acetate 9.81
    THF 54.89
    2-butanone 20.25
    n-pentanol 11.94
    sec-butanol 7.58
    n-hexane 1.53
    ethylene glycol 0.47
    NMP 59.47
    cyclohexane 1.72
    DMSO 11.2
    n-butyl acetate 16.18
    n-octanol 7.06
    chloroform 42.73
    n-propyl acetate 11.76
    acetic acid 8.11
    dichloromethane 28.04
    cyclohexanone 39.67
    propylene glycol 1.51
    isopropyl acetate 11.84
    DMAc 50.61
    2-ethoxyethanol 14.2
    isopentanol 9.22
    n-heptane 1.34
    ethyl formate 5.9
    1,2-dichloroethane 16.61
    n-hexanol 12.29
    2-methoxyethanol 11.71
    isobutyl acetate 11.04
    tetrachloromethane 9.29
    n-pentyl acetate 23.88
    transcutol 33.24
    n-heptanol 11.04
    ethylbenzene 11.27
    MIBK 12.88
    2-propoxyethanol 29.68
    tert-butanol 4.84
    MTBE 10.4
    2-butoxyethanol 27.01
    propionic acid 8.57
    o-xylene 12.12
    formic acid 2.11
    diethyl ether 13.19
    m-xylene 12.73
    p-xylene 11.73
    chlorobenzene 20.46
    dimethyl carbonate 8.83
    n-octane 0.51
    formamide 2.88
    cyclopentanone 43.1
    2-pentanone 17.91
    anisole 17.73
    cyclopentyl methyl ether 28.48
    gamma-butyrolactone 36.01
    1-methoxy-2-propanol 15.67
    pyridine 34.18
    3-pentanone 18.39
    furfural 26.65
    n-dodecane 0.25
    diethylene glycol 7.99
    diisopropyl ether 4.39
    tert-amyl alcohol 7.07
    acetylacetone 15.97
    n-hexadecane 0.31
    acetophenone 18.87
    methyl propionate 15.49
    isopentyl acetate 18.12
    trichloroethylene 38.65
    n-nonanol 8.71
    cyclohexanol 11.8
    benzyl alcohol 14.28
    2-ethylhexanol 8.72
    isooctanol 9.13
    dipropyl ether 13.27
    1,2-dichlorobenzene 19.78
    ethyl lactate 7.48
    propylene carbonate 16.99
    n-methylformamide 7.98
    2-pentanol 7.12
    n-pentane 1.35
    1-propoxy-2-propanol 23.72
    1-methoxy-2-propyl acetate 24.83
    2-(2-methoxypropoxy) propanol 20.17
    mesitylene 6.6
    ε-caprolactone 38.21
    p-cymene 6.99
    epichlorohydrin 37.06
    1,1,1-trichloroethane 18.7
    2-aminoethanol 2.48
    morpholine-4-carbaldehyde 44.57
    sulfolane 42.64
    2,2,4-trimethylpentane 1.09
    2-methyltetrahydrofuran 30.79
    n-hexyl acetate 22.83
    isooctane 0.72
    2-(2-butoxyethoxy)ethanol 23.49
    sec-butyl acetate 10.64
    tert-butyl acetate 13.79
    decalin 1.63
    glycerin 2.56
    diglyme 40.58
    acrylic acid 7.18
    isopropyl myristate 7.39
    n-butyric acid 15.22
    acetyl acetate 9.35
    di(2-ethylhexyl) phthalate 11.31
    ethyl propionate 12.08
    nitromethane 11.08
    1,2-diethoxyethane 16.32
    benzonitrile 10.87
    trioctyl phosphate 8.01
    1-bromopropane 13.82
    gamma-valerolactone 60.86
    n-decanol 4.89
    triethyl phosphate 9.56
    4-methyl-2-pentanol 5.17
    propionitrile 6.86
    vinylene carbonate 18.89
    1,1,2-trichlorotrifluoroethane 24.68
    DMS 16.38
    cumene 7.0
    2-octanol 6.32
    2-hexanone 17.1
    octyl acetate 10.37
    limonene 8.11
    1,2-dimethoxyethane 22.67
    ethyl orthosilicate 11.03
    tributyl phosphate 7.66
    diacetone alcohol 14.28
    N,N-dimethylaniline 15.18
    acrylonitrile 6.7
    aniline 16.64
    1,3-propanediol 5.46
    bromobenzene 22.97
    dibromomethane 20.01
    1,1,2,2-tetrachloroethane 31.93
    2-methyl-cyclohexyl acetate 17.36
    tetrabutyl urea 12.44
    diisobutyl methanol 4.82
    2-phenylethanol 17.37
    styrene 11.06
    dioctyl adipate 12.82
    dimethyl sulfate 16.03
    ethyl butyrate 13.69
    methyl lactate 8.71
    butyl lactate 19.34
    diethyl carbonate 8.2
    propanediol butyl ether 14.36
    triethyl orthoformate 15.02
    p-tert-butyltoluene 6.66
    methyl 4-tert-butylbenzoate 26.61
    morpholine 34.12
    tert-butylamine 3.42
    n-dodecanol 2.75
    dimethoxymethane 21.91
    ethylene carbonate 15.72
    cyrene 23.95
    2-ethoxyethyl acetate 30.2
    2-ethylhexyl acetate 16.86
    1,2,4-trichlorobenzene 26.68
    4-methylpyridine 30.73
    dibutyl ether 7.13
    2,6-dimethyl-4-heptanol 4.82
    DEF 23.31
    dimethyl isosorbide 34.86
    tetrachloroethylene 22.64
    eugenol 24.16
    triacetin 22.31
    span 80 18.82
    1,4-butanediol 2.91
    1,1-dichloroethane 14.76
    2-methyl-1-pentanol 10.72
    methyl formate 5.36
    2-methyl-1-butanol 10.82
    n-decane 0.72
    butyronitrile 7.56
    3,7-dimethyl-1-octanol 6.23
    1-chlorooctane 4.22
    1-chlorotetradecane 1.06
    n-nonane 0.6
    undecane 0.39
    tert-butylcyclohexane 1.46
    cyclooctane 0.95
    cyclopentanol 12.01
    tetrahydropyran 30.98
    tert-amyl methyl ether 10.81
    2,5,8-trioxanonane 24.05
    1-hexene 5.96
    2-isopropoxyethanol 12.72
    2,2,2-trifluoroethanol 4.44
    methyl butyrate 14.42

    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