Hericenone C

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  • Identifiers

    CAS number
    137592-03-1

    Molecular formula
    C35H54O6

    SMILES
    CCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(C(=C1C=O)O)C/C=C(\C)/CC(=O)C=C(C)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 61.02%
    Sweet 37.19%
    Waxy 36.0%
    Woody 34.72%
    Fresh 34.51%
    Fruity 33.59%
    Rose 32.98%
    Balsamic 29.2%
    Dry 27.99%
    Jasmin 27.92%

     

    Flavor
    Herbal 40.87%
    Bitter 27.01%
    Woody 26.46%
    Bland 25.21%
    Warm 23.1%
    Mild 21.8%
    Odorless 21.12%
    Parsley 20.4%
    Lovage 20.32%
    Outdoor 20.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.2

    pKa est.
    8.14 (weak base)

    Molecular weight
    570.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    764°C

    Melting point expt.

    • 38 - 40 °C

    Flash point

    • 225.86 ˚C est.

  • Synonyms

    • Hericenone C
    • {4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl hexadecanoate
    • [4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl hexadecanoate
    • (4-((2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl hexadecanoate
    • (4-((2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl hexadecanoate
    • RefChem:922865
    • 137592-03-1
    • orb2893480
    • SCHEMBL29543496
    • SCHEMBL29862116
    • CHEBI:172745
    • DTXSID401112686
    • (E)-4-(3,7-Dimethyl-5-oxoocta-2,6-dien-1-yl)-2-formyl-3-hydroxy-5-methoxybenzyl palmitate
    • [4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl hexadecanoate
    • [4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl hexadecanoate
    • 137592-03-1

  • Applications

    Hericenone C (CAS 137592-03-1) is a natural compound derived from lion’s mane mushrooms and has several potential applications in industry. In practice, it may be used as a fragrance/odorant component in perfumery and flavor applications; considered for cosmetics and personal care as a fragrance ingredient or a structural scaffold for bioactive compounds; may appear in household products and cleaners as a fragrance component; used as an intermediate in the synthesis of specialty chemicals; and evaluated for pharmaceutical research as a potential bioactive scaffold or a starting point for the synthesis of complex organic molecules, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.74
    methanol 45.63
    isopropanol 34.41
    water 0.11
    ethyl acetate 101.27
    n-propanol 53.88
    acetone 191.25
    n-butanol 39.11
    acetonitrile 50.2
    DMF 194.42
    toluene 43.8
    isobutanol 36.58
    1,4-dioxane 108.03
    methyl acetate 111.93
    THF 334.47
    2-butanone 171.95
    n-pentanol 39.88
    sec-butanol 47.33
    n-hexane 3.26
    ethylene glycol 3.99
    NMP 401.11
    cyclohexane 5.79
    DMSO 267.73
    n-butyl acetate 46.16
    n-octanol 14.04
    chloroform 363.62
    n-propyl acetate 72.64
    acetic acid 182.0
    dichloromethane 353.72
    cyclohexanone 263.93
    propylene glycol 12.08
    isopropyl acetate 58.28
    DMAc 442.91
    2-ethoxyethanol 73.77
    isopentanol 31.01
    n-heptane 1.53
    ethyl formate 62.83
    1,2-dichloroethane 213.71
    n-hexanol 19.6
    2-methoxyethanol 75.36
    isobutyl acetate 39.46
    tetrachloromethane 57.28
    n-pentyl acetate 64.12
    transcutol 136.69
    n-heptanol 17.87
    ethylbenzene 23.02
    MIBK 52.82
    2-propoxyethanol 58.83
    tert-butanol 37.27
    MTBE 42.15
    2-butoxyethanol 55.78
    propionic acid 94.05
    o-xylene 28.46
    formic acid 34.66
    diethyl ether 40.99
    m-xylene 21.08
    p-xylene 32.47
    chlorobenzene 83.29
    dimethyl carbonate 66.01
    n-octane 1.08
    formamide 61.16
    cyclopentanone 343.2
    2-pentanone 111.52
    anisole 47.43
    cyclopentyl methyl ether 93.26
    gamma-butyrolactone 356.26
    1-methoxy-2-propanol 70.04
    pyridine 157.4
    3-pentanone 109.28
    furfural 188.51
    n-dodecane 0.74
    diethylene glycol 25.19
    diisopropyl ether 9.9
    tert-amyl alcohol 46.35
    acetylacetone 155.69
    n-hexadecane 0.84
    acetophenone 77.08
    methyl propionate 112.0
    isopentyl acetate 42.73
    trichloroethylene 437.15
    n-nonanol 15.37
    cyclohexanol 53.89
    benzyl alcohol 50.62
    2-ethylhexanol 13.27
    isooctanol 16.23
    dipropyl ether 21.68
    1,2-dichlorobenzene 83.74
    ethyl lactate 36.96
    propylene carbonate 153.01
    n-methylformamide 89.93
    2-pentanol 25.45
    n-pentane 2.56
    1-propoxy-2-propanol 43.95
    1-methoxy-2-propyl acetate 60.45
    2-(2-methoxypropoxy) propanol 46.56
    mesitylene 10.82
    ε-caprolactone 214.19
    p-cymene 9.32
    epichlorohydrin 332.24
    1,1,1-trichloroethane 212.33
    2-aminoethanol 17.59
    morpholine-4-carbaldehyde 189.74
    sulfolane 460.0
    2,2,4-trimethylpentane 2.19
    2-methyltetrahydrofuran 165.73
    n-hexyl acetate 56.45
    isooctane 0.85
    2-(2-butoxyethoxy)ethanol 56.26
    sec-butyl acetate 45.35
    tert-butyl acetate 61.31
    decalin 3.59
    glycerin 17.2
    diglyme 118.93
    acrylic acid 85.47
    isopropyl myristate 15.81
    n-butyric acid 113.76
    acetyl acetate 84.11
    di(2-ethylhexyl) phthalate 25.21
    ethyl propionate 64.74
    nitromethane 279.99
    1,2-diethoxyethane 49.07
    benzonitrile 50.66
    trioctyl phosphate 16.15
    1-bromopropane 87.09
    gamma-valerolactone 358.56
    n-decanol 9.45
    triethyl phosphate 28.04
    4-methyl-2-pentanol 13.45
    propionitrile 51.63
    vinylene carbonate 138.07
    1,1,2-trichlorotrifluoroethane 224.85
    DMS 59.52
    cumene 13.52
    2-octanol 12.55
    2-hexanone 80.15
    octyl acetate 24.27
    limonene 14.41
    1,2-dimethoxyethane 110.6
    ethyl orthosilicate 25.6
    tributyl phosphate 21.49
    diacetone alcohol 73.09
    N,N-dimethylaniline 34.13
    acrylonitrile 67.58
    aniline 58.78
    1,3-propanediol 29.18
    bromobenzene 84.95
    dibromomethane 196.95
    1,1,2,2-tetrachloroethane 359.91
    2-methyl-cyclohexyl acetate 40.96
    tetrabutyl urea 31.43
    diisobutyl methanol 7.5
    2-phenylethanol 32.29
    styrene 28.91
    dioctyl adipate 34.09
    dimethyl sulfate 130.72
    ethyl butyrate 42.13
    methyl lactate 52.98
    butyl lactate 51.42
    diethyl carbonate 30.79
    propanediol butyl ether 36.81
    triethyl orthoformate 33.58
    p-tert-butyltoluene 8.47
    methyl 4-tert-butylbenzoate 62.7
    morpholine 149.31
    tert-butylamine 16.28
    n-dodecanol 6.08
    dimethoxymethane 117.33
    ethylene carbonate 118.12
    cyrene 78.77
    2-ethoxyethyl acetate 93.5
    2-ethylhexyl acetate 33.49
    1,2,4-trichlorobenzene 117.89
    4-methylpyridine 120.31
    dibutyl ether 18.84
    2,6-dimethyl-4-heptanol 7.5
    DEF 126.21
    dimethyl isosorbide 97.75
    tetrachloroethylene 209.42
    eugenol 55.64
    triacetin 81.95
    span 80 43.37
    1,4-butanediol 16.04
    1,1-dichloroethane 183.62
    2-methyl-1-pentanol 36.17
    methyl formate 76.21
    2-methyl-1-butanol 39.05
    n-decane 1.59
    butyronitrile 42.59
    3,7-dimethyl-1-octanol 13.09
    1-chlorooctane 11.46
    1-chlorotetradecane 3.32
    n-nonane 1.35
    undecane 1.01
    tert-butylcyclohexane 2.66
    cyclooctane 1.62
    cyclopentanol 76.07
    tetrahydropyran 130.43
    tert-amyl methyl ether 41.3
    2,5,8-trioxanonane 68.8
    1-hexene 16.77
    2-isopropoxyethanol 53.54
    2,2,2-trifluoroethanol 72.05
    methyl butyrate 91.09

    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