Fasciculol F

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  • Identifiers

    CAS number
    65694-21-5

    Molecular formula
    C39H65NO11

    SMILES
    C[C@@]12CC[C@@H]([C@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)O)OC(=O)CC(C)(CC(=O)NCC(=O)OC)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO

    Safety labels

  • Odor profile

    Fragrance
    Woody 49.93%
    Odorless 46.78%
    Cooling 34.21%
    Amber 32.91%
    Musk 31.51%
    Dry 29.48%
    Sandalwood 27.71%
    Balsamic 27.59%
    Sweet 27.21%
    Mint 26.95%

     

    Flavor
    Bitter 57.75%
    Odorless 38.15%
    Fruity 28.49%
    Mild 27.35%
    Bland 26.46%
    Sweet-like 23.48%
    Clary 20.52%
    Fir 20.48%
    Sandalwood 20.3%
    Cedarleaf 20.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.12 (weak acid)

    Molecular weight
    723.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    506°C

    Flash point

    • 300.91 ˚C est.

  • Synonyms

    • Fasciculol F
    • RefChem:139992
    • 65694-21-5
    • [(2R,3R,10S,12S,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate
    • SCHEMBL29934612
    • DTXSID50984240
    • CHEBI:172809
    • 3-Hydroxy-N-(2-methoxy-2-oxoethyl)-3-methyl-5-oxo-5-[(3,12,21,24,25-pentahydroxylanost-8-en-2-yl)oxy]pentanimidic acid
    • 3-Hydroxy-N-(2-methoxy-2-oxoethyl)-3-methyl-5-oxo-5-{[(5xi,24R)-3beta,12alpha,21,24,25-pentahydroxylanost-8-en-2alpha-yl]oxy}pentanimidic acid
    • Lanost-8-ene-2,3,12,21,24,25-hexol, 2-(3-hydroxy-5-((2-methoxy-2-oxoethyl)amino)-3-methyl-5-oxopentanoate), (2alpha,3beta,12alpha,24R)-
    • 65694-21-5

  • Applications

    Fasciculol F (CAS 65694-21-5) is a specialty chemical typically used as a building block or intermediate in organic synthesis, with applications in pharmaceutical research and related chemical development. It may also be evaluated for fragrance/odorant applications and could appear as a minor component in cosmetics/personal care formulations. In industrial settings, it could serve as a specialty additive or precursor in polymers/plastics and in coatings/inks formulations, depending on formulation goals and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.46
    methanol 42.64
    isopropanol 1.2
    water 0.03
    ethyl acetate 1.16
    n-propanol 3.93
    acetone 3.42
    n-butanol 1.62
    acetonitrile 0.83
    DMF 58.5
    toluene 0.18
    isobutanol 0.99
    1,4-dioxane 6.4
    methyl acetate 1.75
    THF 16.22
    2-butanone 2.39
    n-pentanol 0.87
    sec-butanol 0.8
    n-hexane 0.01
    ethylene glycol 5.12
    NMP 50.13
    cyclohexane 0.01
    DMSO 48.1
    n-butyl acetate 0.56
    n-octanol 0.41
    chloroform 4.15
    n-propyl acetate 0.69
    acetic acid 24.87
    dichloromethane 3.91
    cyclohexanone 3.22
    propylene glycol 8.29
    isopropyl acetate 0.55
    DMAc 33.71
    2-ethoxyethanol 12.29
    isopentanol 0.56
    n-heptane 0.01
    ethyl formate 2.78
    1,2-dichloroethane 1.4
    n-hexanol 0.54
    2-methoxyethanol 39.33
    isobutyl acetate 0.32
    tetrachloromethane 0.29
    n-pentyl acetate 0.85
    transcutol 12.99
    n-heptanol 0.57
    ethylbenzene 0.09
    MIBK 0.57
    2-propoxyethanol 12.23
    tert-butanol 0.53
    MTBE 0.29
    2-butoxyethanol 6.7
    propionic acid 4.23
    o-xylene 0.1
    formic acid 35.34
    diethyl ether 0.63
    m-xylene 0.1
    p-xylene 0.1
    chlorobenzene 0.32
    dimethyl carbonate 2.92
    n-octane 0.01
    formamide 29.35
    cyclopentanone 9.74
    2-pentanone 1.4
    anisole 0.61
    cyclopentyl methyl ether 1.25
    gamma-butyrolactone 15.94
    1-methoxy-2-propanol 15.38
    pyridine 3.84
    3-pentanone 1.03
    furfural 16.8
    n-dodecane 0.0
    diethylene glycol 14.68
    diisopropyl ether 0.06
    tert-amyl alcohol 0.48
    acetylacetone 3.04
    n-hexadecane 0.0
    acetophenone 1.01
    methyl propionate 2.32
    isopentyl acetate 0.43
    trichloroethylene 4.94
    n-nonanol 0.4
    cyclohexanol 0.45
    benzyl alcohol 1.25
    2-ethylhexanol 0.17
    isooctanol 0.32
    dipropyl ether 0.35
    1,2-dichlorobenzene 0.37
    ethyl lactate 1.54
    propylene carbonate 3.87
    n-methylformamide 30.28
    2-pentanol 0.34
    n-pentane 0.01
    1-propoxy-2-propanol 4.04
    1-methoxy-2-propyl acetate 2.17
    2-(2-methoxypropoxy) propanol 3.59
    mesitylene 0.04
    ε-caprolactone 3.92
    p-cymene 0.05
    epichlorohydrin 15.38
    1,1,1-trichloroethane 0.52
    2-aminoethanol 11.56
    morpholine-4-carbaldehyde 42.79
    sulfolane 31.63
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.34
    n-hexyl acetate 1.01
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.37
    sec-butyl acetate 0.29
    tert-butyl acetate 0.54
    decalin 0.01
    glycerin 24.7
    diglyme 12.43
    acrylic acid 8.02
    isopropyl myristate 0.13
    n-butyric acid 3.8
    acetyl acetate 1.02
    di(2-ethylhexyl) phthalate 0.54
    ethyl propionate 0.68
    nitromethane 33.19
    1,2-diethoxyethane 1.08
    benzonitrile 0.57
    trioctyl phosphate 0.3
    1-bromopropane 0.34
    gamma-valerolactone 37.8
    n-decanol 0.18
    triethyl phosphate 0.37
    4-methyl-2-pentanol 0.16
    propionitrile 0.77
    vinylene carbonate 5.12
    1,1,2-trichlorotrifluoroethane 29.75
    DMS 1.25
    cumene 0.05
    2-octanol 0.2
    2-hexanone 0.75
    octyl acetate 0.31
    limonene 0.07
    1,2-dimethoxyethane 10.7
    ethyl orthosilicate 0.31
    tributyl phosphate 0.28
    diacetone alcohol 2.17
    N,N-dimethylaniline 0.48
    acrylonitrile 2.05
    aniline 0.69
    1,3-propanediol 11.08
    bromobenzene 0.23
    dibromomethane 1.25
    1,1,2,2-tetrachloroethane 3.37
    2-methyl-cyclohexyl acetate 0.45
    tetrabutyl urea 0.52
    diisobutyl methanol 0.07
    2-phenylethanol 0.91
    styrene 0.1
    dioctyl adipate 0.44
    dimethyl sulfate 8.66
    ethyl butyrate 0.47
    methyl lactate 6.35
    butyl lactate 1.95
    diethyl carbonate 0.32
    propanediol butyl ether 6.67
    triethyl orthoformate 0.52
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 1.83
    morpholine 11.12
    tert-butylamine 0.11
    n-dodecanol 0.08
    dimethoxymethane 17.87
    ethylene carbonate 2.67
    cyrene 7.92
    2-ethoxyethyl acetate 2.77
    2-ethylhexyl acetate 0.3
    1,2,4-trichlorobenzene 0.6
    4-methylpyridine 1.69
    dibutyl ether 0.16
    2,6-dimethyl-4-heptanol 0.07
    DEF 3.29
    dimethyl isosorbide 5.96
    tetrachloroethylene 2.33
    eugenol 2.64
    triacetin 2.21
    span 80 2.96
    1,4-butanediol 2.57
    1,1-dichloroethane 0.65
    2-methyl-1-pentanol 0.42
    methyl formate 18.64
    2-methyl-1-butanol 0.71
    n-decane 0.01
    butyronitrile 0.57
    3,7-dimethyl-1-octanol 0.2
    1-chlorooctane 0.07
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.28
    tetrahydropyran 1.67
    tert-amyl methyl ether 0.31
    2,5,8-trioxanonane 5.85
    1-hexene 0.07
    2-isopropoxyethanol 3.3
    2,2,2-trifluoroethanol 7.2
    methyl butyrate 1.1

    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