Hericenone F

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  • Identifiers

    CAS number
    141996-36-3

    Molecular formula
    C35H54O6

    SMILES
    CCCCCCCCCCCCCCCC(=O)OCC1=CC(=C2CCC(OC2=C1C=O)(C)CC(=O)C=C(C)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 63.58%
    Sweet 41.28%
    Waxy 34.58%
    Woody 33.62%
    Fresh 31.15%
    Fruity 29.23%
    Jasmin 29.12%
    Balsamic 27.8%
    Powdery 27.43%
    Rose 27.11%

     

    Flavor
    Herbal 35.58%
    Woody 27.16%
    Bland 26.58%
    Oily 25.23%
    Warm 23.85%
    Mild 22.96%
    Bitter 21.67%
    Parsley 21.28%
    Outdoor 20.8%
    Lovage 20.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.1

    pKa est.
    4.63 (weak acid)

    Molecular weight
    570.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    751°C

    Flash point

    • 183.84 ˚C est.

  • Synonyms

    • Hericenone F
    • RefChem:1086465
    • (8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl)methyl hexadecanoate
    • 141996-36-3
    • SCHEMBL9617870
    • SCHEMBL29543282
    • CHEBI:176109
    • DTXSID101106626
    • 8-Formyl-5-methoxy-2-methyl-2-(4'-methyl-2'-oxo-3'-pentenyl)-7-chromanylmethylplamitate
    • (8-Formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)chroman-7-yl)methyl palmitate
    • [8-Formyl-3,4-dihydro-5-methoxy-2-methyl-2-(4-methyl-2-oxo-3-penten-1-yl)-2H-1-benzopyran-7-yl]methyl hexadecanoate
    • [8-ormyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl hexadecanoate
    • 141996-36-3

  • Applications

    Hericenone F (CAS 141996-36-3) is mainly encountered in natural product chemistry and related research as a reference compound and a potential synthetic building block for accessing related fungal metabolites. It is commonly used in analytical workflows as a high-purity standard for method development and quality control of mushroom-derived natural products. In formulation-oriented R&D, it may be evaluated as a fragrance ingredient or cosmetic component within specialized products, reflecting its aromatic/phenolic character. The compound can also serve as a starting point for medicinal-chemistry–oriented investigations in pharmaceutical research, where researchers explore structure–activity relationships of hericenone derivatives. Overall, the applications are primarily research-oriented, with use as an intermediate, analytical standard, or exploratory ingredient, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.28
    methanol 51.79
    isopropanol 30.95
    water 0.24
    ethyl acetate 186.98
    n-propanol 63.0
    acetone 205.79
    n-butanol 48.11
    acetonitrile 90.37
    DMF 240.83
    toluene 94.39
    isobutanol 47.66
    1,4-dioxane 160.56
    methyl acetate 192.64
    THF 359.36
    2-butanone 224.98
    n-pentanol 50.92
    sec-butanol 51.74
    n-hexane 3.86
    ethylene glycol 6.17
    NMP 595.43
    cyclohexane 8.72
    DMSO 226.4
    n-butyl acetate 87.57
    n-octanol 23.8
    chloroform 1001.91
    n-propyl acetate 129.85
    acetic acid 262.34
    dichloromethane 989.34
    cyclohexanone 389.8
    propylene glycol 14.43
    isopropyl acetate 99.06
    DMAc 510.91
    2-ethoxyethanol 96.79
    isopentanol 41.47
    n-heptane 2.36
    ethyl formate 122.39
    1,2-dichloroethane 445.29
    n-hexanol 25.05
    2-methoxyethanol 94.0
    isobutyl acetate 80.25
    tetrachloromethane 120.8
    n-pentyl acetate 125.85
    transcutol 204.0
    n-heptanol 26.92
    ethylbenzene 39.61
    MIBK 84.01
    2-propoxyethanol 85.71
    tert-butanol 35.11
    MTBE 44.27
    2-butoxyethanol 85.47
    propionic acid 148.82
    o-xylene 55.12
    formic acid 63.92
    diethyl ether 52.95
    m-xylene 47.06
    p-xylene 58.55
    chlorobenzene 224.28
    dimethyl carbonate 128.06
    n-octane 1.58
    formamide 96.46
    cyclopentanone 478.7
    2-pentanone 165.76
    anisole 86.14
    cyclopentyl methyl ether 143.06
    gamma-butyrolactone 594.63
    1-methoxy-2-propanol 83.46
    pyridine 283.22
    3-pentanone 169.34
    furfural 391.92
    n-dodecane 1.35
    diethylene glycol 41.57
    diisopropyl ether 14.39
    tert-amyl alcohol 49.77
    acetylacetone 247.02
    n-hexadecane 1.58
    acetophenone 137.72
    methyl propionate 202.21
    isopentyl acetate 80.49
    trichloroethylene 1123.38
    n-nonanol 25.6
    cyclohexanol 83.23
    benzyl alcohol 91.07
    2-ethylhexanol 21.78
    isooctanol 26.63
    dipropyl ether 32.76
    1,2-dichlorobenzene 228.22
    ethyl lactate 64.17
    propylene carbonate 306.36
    n-methylformamide 149.06
    2-pentanol 32.23
    n-pentane 3.36
    1-propoxy-2-propanol 64.39
    1-methoxy-2-propyl acetate 108.64
    2-(2-methoxypropoxy) propanol 77.66
    mesitylene 23.23
    ε-caprolactone 365.61
    p-cymene 19.74
    epichlorohydrin 597.71
    1,1,1-trichloroethane 471.22
    2-aminoethanol 23.95
    morpholine-4-carbaldehyde 319.33
    sulfolane 650.9
    2,2,4-trimethylpentane 3.0
    2-methyltetrahydrofuran 219.74
    n-hexyl acetate 107.29
    isooctane 1.3
    2-(2-butoxyethoxy)ethanol 92.4
    sec-butyl acetate 82.08
    tert-butyl acetate 98.63
    decalin 5.92
    glycerin 24.27
    diglyme 196.38
    acrylic acid 148.65
    isopropyl myristate 31.99
    n-butyric acid 186.3
    acetyl acetate 167.78
    di(2-ethylhexyl) phthalate 53.93
    ethyl propionate 114.8
    nitromethane 465.89
    1,2-diethoxyethane 81.81
    benzonitrile 115.66
    trioctyl phosphate 33.14
    1-bromopropane 163.52
    gamma-valerolactone 596.0
    n-decanol 16.47
    triethyl phosphate 56.0
    4-methyl-2-pentanol 19.38
    propionitrile 91.35
    vinylene carbonate 323.45
    1,1,2-trichlorotrifluoroethane 376.48
    DMS 126.4
    cumene 24.57
    2-octanol 20.14
    2-hexanone 121.73
    octyl acetate 48.29
    limonene 26.91
    1,2-dimethoxyethane 142.98
    ethyl orthosilicate 48.83
    tributyl phosphate 43.38
    diacetone alcohol 102.41
    N,N-dimethylaniline 55.18
    acrylonitrile 131.06
    aniline 112.02
    1,3-propanediol 36.36
    bromobenzene 247.15
    dibromomethane 500.08
    1,1,2,2-tetrachloroethane 818.29
    2-methyl-cyclohexyl acetate 78.49
    tetrabutyl urea 57.1
    diisobutyl methanol 12.39
    2-phenylethanol 60.77
    styrene 53.3
    dioctyl adipate 68.69
    dimethyl sulfate 236.9
    ethyl butyrate 78.84
    methyl lactate 87.54
    butyl lactate 86.11
    diethyl carbonate 60.97
    propanediol butyl ether 57.19
    triethyl orthoformate 61.07
    p-tert-butyltoluene 16.68
    methyl 4-tert-butylbenzoate 115.06
    morpholine 201.98
    tert-butylamine 16.41
    n-dodecanol 11.03
    dimethoxymethane 163.02
    ethylene carbonate 268.98
    cyrene 131.11
    2-ethoxyethyl acetate 176.05
    2-ethylhexyl acetate 68.51
    1,2,4-trichlorobenzene 312.75
    4-methylpyridine 231.81
    dibutyl ether 33.28
    2,6-dimethyl-4-heptanol 12.39
    DEF 189.95
    dimethyl isosorbide 171.66
    tetrachloroethylene 484.71
    eugenol 100.18
    triacetin 174.98
    span 80 74.04
    1,4-butanediol 23.32
    1,1-dichloroethane 381.44
    2-methyl-1-pentanol 50.77
    methyl formate 135.96
    2-methyl-1-butanol 55.15
    n-decane 2.77
    butyronitrile 72.99
    3,7-dimethyl-1-octanol 24.02
    1-chlorooctane 22.05
    1-chlorotetradecane 7.06
    n-nonane 2.3
    undecane 1.82
    tert-butylcyclohexane 4.02
    cyclooctane 2.77
    cyclopentanol 102.71
    tetrahydropyran 181.14
    tert-amyl methyl ether 50.69
    2,5,8-trioxanonane 119.87
    1-hexene 21.62
    2-isopropoxyethanol 72.79
    2,2,2-trifluoroethanol 125.93
    methyl butyrate 156.77

    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