Fernenol

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  • Identifiers

    CAS number
    4966-00-1

    Molecular formula
    C30H50O

    SMILES
    CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC=C4[C@@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 91.1%
    Amber 57.71%
    Dry 55.36%
    Sandalwood 49.18%
    Cedar 46.81%
    Vetiver 40.28%
    Musk 38.75%
    Spicy 38.08%
    Balsamic 37.28%
    Sweet 35.87%

     

    Flavor
    Woody 71.89%
    Sweet 57.96%
    Pine 48.98%
    Camphor 48.83%
    Dry 42.63%
    Balsam 40.11%
    Earthy 39.62%
    Wood 36.22%
    Fresh 33.47%
    Medical 31.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    7.41 (neutral)

    Molecular weight
    426.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    482°C

    Flash point

    • 225.9 ˚C est.

  • Synonyms

    • Fernenol
    • (3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
    • 4966-00-1
    • (3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta(a)chrysen-9-ol
    • RefChem:140240
    • SCHEMBL29962020
    • CHEBI:80823
    • C16958
    • Q27149866
    • 4966-00-1

  • Applications

    Fernenol (CAS 4966-00-1) is primarily used in perfumery as an odorant and aroma fixative to help extend fragrance longevity, and it is commonly evaluated for cosmetic and personal care formulations as a fragrance component; it also serves as a fragrance additive in household products. In industrial manufacturing it may function as an intermediate in organic synthesis and can act as a processing aid within specialty formulations. Depending on regulatory constraints and formulation goals, it may be explored for flavor applications, though such uses require careful evaluation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.57
    methanol 2.29
    isopropanol 6.48
    water 0.04
    ethyl acetate 12.36
    n-propanol 10.75
    acetone 11.25
    n-butanol 13.97
    acetonitrile 2.98
    DMF 16.9
    toluene 26.84
    isobutanol 9.35
    1,4-dioxane 25.45
    methyl acetate 7.26
    THF 45.6
    2-butanone 13.28
    n-pentanol 9.23
    sec-butanol 5.28
    n-hexane 1.56
    ethylene glycol 0.58
    NMP 26.08
    cyclohexane 1.96
    DMSO 5.13
    n-butyl acetate 16.22
    n-octanol 8.47
    chloroform 28.62
    n-propyl acetate 9.65
    acetic acid 5.08
    dichloromethane 16.01
    cyclohexanone 25.49
    propylene glycol 1.26
    isopropyl acetate 16.54
    DMAc 26.21
    2-ethoxyethanol 11.63
    isopentanol 13.96
    n-heptane 2.02
    ethyl formate 3.78
    1,2-dichloroethane 11.14
    n-hexanol 13.77
    2-methoxyethanol 12.69
    isobutyl acetate 12.6
    tetrachloromethane 7.6
    n-pentyl acetate 22.24
    transcutol 47.31
    n-heptanol 15.0
    ethylbenzene 10.52
    MIBK 18.73
    2-propoxyethanol 34.35
    tert-butanol 6.82
    MTBE 10.85
    2-butoxyethanol 31.45
    propionic acid 5.18
    o-xylene 14.41
    formic acid 1.34
    diethyl ether 16.09
    m-xylene 21.53
    p-xylene 11.5
    chlorobenzene 18.33
    dimethyl carbonate 7.86
    n-octane 0.63
    formamide 2.15
    cyclopentanone 27.06
    2-pentanone 17.79
    anisole 21.63
    cyclopentyl methyl ether 26.4
    gamma-butyrolactone 20.41
    1-methoxy-2-propanol 18.89
    pyridine 26.48
    3-pentanone 15.18
    furfural 18.33
    n-dodecane 0.3
    diethylene glycol 10.52
    diisopropyl ether 8.71
    tert-amyl alcohol 5.39
    acetylacetone 20.77
    n-hexadecane 0.39
    acetophenone 17.66
    methyl propionate 13.35
    isopentyl acetate 22.48
    trichloroethylene 26.13
    n-nonanol 10.66
    cyclohexanol 9.42
    benzyl alcohol 12.48
    2-ethylhexanol 11.39
    isooctanol 13.74
    dipropyl ether 17.93
    1,2-dichlorobenzene 17.67
    ethyl lactate 6.08
    propylene carbonate 11.93
    n-methylformamide 4.86
    2-pentanol 8.84
    n-pentane 1.98
    1-propoxy-2-propanol 29.28
    1-methoxy-2-propyl acetate 32.3
    2-(2-methoxypropoxy) propanol 23.06
    mesitylene 12.76
    ε-caprolactone 23.1
    p-cymene 10.62
    epichlorohydrin 23.02
    1,1,1-trichloroethane 15.18
    2-aminoethanol 2.54
    morpholine-4-carbaldehyde 32.91
    sulfolane 19.42
    2,2,4-trimethylpentane 1.34
    2-methyltetrahydrofuran 19.9
    n-hexyl acetate 21.37
    isooctane 1.62
    2-(2-butoxyethoxy)ethanol 30.63
    sec-butyl acetate 10.62
    tert-butyl acetate 21.84
    decalin 1.81
    glycerin 2.64
    diglyme 51.23
    acrylic acid 4.01
    isopropyl myristate 9.15
    n-butyric acid 12.57
    acetyl acetate 10.93
    di(2-ethylhexyl) phthalate 12.06
    ethyl propionate 11.4
    nitromethane 7.46
    1,2-diethoxyethane 19.74
    benzonitrile 11.28
    trioctyl phosphate 8.42
    1-bromopropane 9.56
    gamma-valerolactone 43.39
    n-decanol 6.43
    triethyl phosphate 10.19
    4-methyl-2-pentanol 9.21
    propionitrile 6.95
    vinylene carbonate 12.49
    1,1,2-trichlorotrifluoroethane 14.77
    DMS 14.4
    cumene 8.35
    2-octanol 7.59
    2-hexanone 12.29
    octyl acetate 10.46
    limonene 10.54
    1,2-dimethoxyethane 21.29
    ethyl orthosilicate 12.52
    tributyl phosphate 7.46
    diacetone alcohol 17.93
    N,N-dimethylaniline 18.45
    acrylonitrile 6.28
    aniline 17.99
    1,3-propanediol 6.44
    bromobenzene 21.95
    dibromomethane 12.17
    1,1,2,2-tetrachloroethane 21.35
    2-methyl-cyclohexyl acetate 17.74
    tetrabutyl urea 11.35
    diisobutyl methanol 9.07
    2-phenylethanol 21.14
    styrene 11.34
    dioctyl adipate 13.31
    dimethyl sulfate 10.75
    ethyl butyrate 14.54
    methyl lactate 6.94
    butyl lactate 17.13
    diethyl carbonate 9.02
    propanediol butyl ether 16.01
    triethyl orthoformate 17.63
    p-tert-butyltoluene 11.36
    methyl 4-tert-butylbenzoate 31.74
    morpholine 27.99
    tert-butylamine 5.73
    n-dodecanol 3.87
    dimethoxymethane 25.1
    ethylene carbonate 10.95
    cyrene 19.67
    2-ethoxyethyl acetate 29.29
    2-ethylhexyl acetate 19.26
    1,2,4-trichlorobenzene 23.25
    4-methylpyridine 26.33
    dibutyl ether 8.48
    2,6-dimethyl-4-heptanol 9.07
    DEF 17.67
    dimethyl isosorbide 40.54
    tetrachloroethylene 15.72
    eugenol 29.16
    triacetin 21.63
    span 80 19.89
    1,4-butanediol 2.54
    1,1-dichloroethane 11.28
    2-methyl-1-pentanol 9.64
    methyl formate 3.24
    2-methyl-1-butanol 11.05
    n-decane 0.91
    butyronitrile 8.37
    3,7-dimethyl-1-octanol 9.22
    1-chlorooctane 4.67
    1-chlorotetradecane 1.24
    n-nonane 0.75
    undecane 0.49
    tert-butylcyclohexane 1.94
    cyclooctane 1.25
    cyclopentanol 7.8
    tetrahydropyran 24.18
    tert-amyl methyl ether 9.6
    2,5,8-trioxanonane 32.12
    1-hexene 4.91
    2-isopropoxyethanol 11.68
    2,2,2-trifluoroethanol 2.98
    methyl butyrate 11.04

    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