Faradiol

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  • Identifiers

    CAS number
    20554-95-4

    Molecular formula
    C30H50O2

    SMILES
    C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]([C@]2(CC=C1C)C)O)C)C)(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.05%
    Amber 49.14%
    Sweet 47.18%
    Sandalwood 46.06%
    Dry 45.63%
    Spicy 45.19%
    Cedar 43.81%
    Balsamic 43.62%
    Earthy 43.12%
    Camphoreous 37.72%

     

    Flavor
    Woody 72.61%
    Sweet 56.21%
    Camphor 55.43%
    Pine 54.49%
    Herbal 51.13%
    Earthy 50.9%
    Balsam 50.07%
    Spicy 41.58%
    Dry 39.04%
    Earth 38.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    7.1 (neutral)

    Molecular weight
    442.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    147°C

    Flash point

    • 236.22 ˚C est.

  • Synonyms

    • Faradiol
    • 20554-95-4
    • O62AJZ9VME
    • 18alpha,19betaH-Urs-20-ene-3beta,16beta-diol
    • (3beta,12beta,18alpha,19alpha)-Urs-20-ene-3,12-diol
    • (3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-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-picene-3,8-diol
    • Urs-20-ene-3,12-diol, (3beta,12beta,18alpha,19alpha)-
    • RefChem:36138
    • UNII-O62AJZ9VME
    • CHEBI:191989
    • Urs-20-ene-3,16-diol, (3.beta.,16.beta.,18.alpha.,19.alpha.)-
    • 16.BETA.-HYDROXYPSEUDOTARAXASTEROL
    • DA-53116
    • HY-121225
    • CS-0081258
    • Q27285378
    • 18.ALPHA.,19.BETA.H-URS-20-ENE-3.BETA.,16.BETA.-DIOL
    • (3.BETA.,12.BETA.,18.ALPHA.,19.ALPHA.)-URS-20-ENE-3,12-DIOL
    • URS-20-ENE-3,12-DIOL, (3.BETA.,12.BETA.,18.ALPHA.,19.ALPHA.)-
    • 20554-95-4

  • Applications

    Faradiol (CAS 20554-95-4) is a natural triterpenoid that is primarily used as a synthetic intermediate and can function as a fragrance ingredient or odorant in perfumery and personal care products; it is also evaluated as a specialty building block in industrial manufacturing for the preparation of triterpenoid derivatives; in coatings/inks and polymers it may serve as a precursor or functional building block for specialty resins and polymer platforms; in pharmaceutical and agrochemical research it can be used as a starting material for the synthesis of more complex derivatives; use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.38
    methanol 2.49
    isopropanol 2.97
    water 0.01
    ethyl acetate 3.58
    n-propanol 5.15
    acetone 4.22
    n-butanol 5.72
    acetonitrile 1.13
    DMF 14.27
    toluene 5.89
    isobutanol 3.94
    1,4-dioxane 13.07
    methyl acetate 2.66
    THF 20.11
    2-butanone 5.14
    n-pentanol 4.14
    sec-butanol 2.1
    n-hexane 0.29
    ethylene glycol 0.42
    NMP 13.88
    cyclohexane 0.28
    DMSO 4.53
    n-butyl acetate 4.84
    n-octanol 3.86
    chloroform 10.47
    n-propyl acetate 3.14
    acetic acid 2.4
    dichloromethane 5.5
    cyclohexanone 8.72
    propylene glycol 0.83
    isopropyl acetate 4.37
    DMAc 14.01
    2-ethoxyethanol 6.92
    isopentanol 4.67
    n-heptane 0.38
    ethyl formate 1.6
    1,2-dichloroethane 3.73
    n-hexanol 5.04
    2-methoxyethanol 8.3
    isobutyl acetate 3.95
    tetrachloromethane 2.23
    n-pentyl acetate 8.48
    transcutol 22.28
    n-heptanol 6.8
    ethylbenzene 3.04
    MIBK 5.4
    2-propoxyethanol 18.5
    tert-butanol 2.75
    MTBE 3.42
    2-butoxyethanol 17.36
    propionic acid 2.3
    o-xylene 3.4
    formic acid 0.96
    diethyl ether 4.47
    m-xylene 4.77
    p-xylene 3.25
    chlorobenzene 5.22
    dimethyl carbonate 3.53
    n-octane 0.15
    formamide 1.43
    cyclopentanone 11.4
    2-pentanone 5.53
    anisole 7.87
    cyclopentyl methyl ether 7.9
    gamma-butyrolactone 8.61
    1-methoxy-2-propanol 11.11
    pyridine 11.43
    3-pentanone 4.67
    furfural 8.61
    n-dodecane 0.07
    diethylene glycol 6.82
    diisopropyl ether 1.76
    tert-amyl alcohol 2.04
    acetylacetone 6.6
    n-hexadecane 0.08
    acetophenone 6.64
    methyl propionate 4.7
    isopentyl acetate 6.75
    trichloroethylene 9.15
    n-nonanol 4.86
    cyclohexanol 2.93
    benzyl alcohol 6.01
    2-ethylhexanol 3.5
    isooctanol 5.9
    dipropyl ether 5.05
    1,2-dichlorobenzene 5.02
    ethyl lactate 2.77
    propylene carbonate 4.25
    n-methylformamide 3.4
    2-pentanol 2.71
    n-pentane 0.3
    1-propoxy-2-propanol 14.37
    1-methoxy-2-propyl acetate 12.21
    2-(2-methoxypropoxy) propanol 10.98
    mesitylene 2.76
    ε-caprolactone 7.72
    p-cymene 2.88
    epichlorohydrin 10.51
    1,1,1-trichloroethane 4.03
    2-aminoethanol 1.77
    morpholine-4-carbaldehyde 19.77
    sulfolane 10.31
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 6.41
    n-hexyl acetate 8.36
    isooctane 0.29
    2-(2-butoxyethoxy)ethanol 16.16
    sec-butyl acetate 3.01
    tert-butyl acetate 6.03
    decalin 0.34
    glycerin 1.84
    diglyme 26.17
    acrylic acid 2.08
    isopropyl myristate 2.74
    n-butyric acid 4.54
    acetyl acetate 3.26
    di(2-ethylhexyl) phthalate 5.12
    ethyl propionate 3.39
    nitromethane 3.72
    1,2-diethoxyethane 6.97
    benzonitrile 4.22
    trioctyl phosphate 3.32
    1-bromopropane 2.37
    gamma-valerolactone 19.79
    n-decanol 2.5
    triethyl phosphate 3.29
    4-methyl-2-pentanol 2.75
    propionitrile 2.47
    vinylene carbonate 4.96
    1,1,2-trichlorotrifluoroethane 8.35
    DMS 5.73
    cumene 2.37
    2-octanol 3.11
    2-hexanone 4.33
    octyl acetate 3.8
    limonene 2.7
    1,2-dimethoxyethane 11.42
    ethyl orthosilicate 4.01
    tributyl phosphate 2.75
    diacetone alcohol 7.08
    N,N-dimethylaniline 6.98
    acrylonitrile 2.71
    aniline 6.0
    1,3-propanediol 3.74
    bromobenzene 5.44
    dibromomethane 3.9
    1,1,2,2-tetrachloroethane 7.4
    2-methyl-cyclohexyl acetate 5.9
    tetrabutyl urea 4.26
    diisobutyl methanol 2.75
    2-phenylethanol 8.96
    styrene 3.06
    dioctyl adipate 5.05
    dimethyl sulfate 5.42
    ethyl butyrate 4.27
    methyl lactate 3.53
    butyl lactate 8.07
    diethyl carbonate 2.6
    propanediol butyl ether 10.26
    triethyl orthoformate 5.43
    p-tert-butyltoluene 3.15
    methyl 4-tert-butylbenzoate 13.61
    morpholine 14.87
    tert-butylamine 1.78
    n-dodecanol 1.25
    dimethoxymethane 14.75
    ethylene carbonate 4.07
    cyrene 10.33
    2-ethoxyethyl acetate 12.69
    2-ethylhexyl acetate 5.41
    1,2,4-trichlorobenzene 7.14
    4-methylpyridine 9.35
    dibutyl ether 2.27
    2,6-dimethyl-4-heptanol 2.75
    DEF 6.47
    dimethyl isosorbide 18.58
    tetrachloroethylene 5.9
    eugenol 14.11
    triacetin 8.64
    span 80 9.85
    1,4-butanediol 1.6
    1,1-dichloroethane 3.13
    2-methyl-1-pentanol 3.5
    methyl formate 2.24
    2-methyl-1-butanol 3.78
    n-decane 0.21
    butyronitrile 2.64
    3,7-dimethyl-1-octanol 3.43
    1-chlorooctane 1.27
    1-chlorotetradecane 0.28
    n-nonane 0.18
    undecane 0.11
    tert-butylcyclohexane 0.39
    cyclooctane 0.2
    cyclopentanol 2.99
    tetrahydropyran 7.94
    tert-amyl methyl ether 2.62
    2,5,8-trioxanonane 15.59
    1-hexene 1.13
    2-isopropoxyethanol 5.89
    2,2,2-trifluoroethanol 1.31
    methyl butyrate 3.72

    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