Hericenone E

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  • Identifiers

    CAS number
    137592-05-3

    Molecular formula
    C37H54O6

    SMILES
    CCCCC/C=C\C/C=C\CCCCCCCC(=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 62.27%
    Fruity 42.1%
    Waxy 39.69%
    Sweet 39.69%
    Rose 35.57%
    Fresh 34.18%
    Woody 32.78%
    Balsamic 30.92%
    Jasmin 30.25%
    Oily 28.17%

     

    Flavor
    Herbal 43.83%
    Woody 29.75%
    Floral 27.14%
    Spicy 26.62%
    Warm 24.63%
    Jasmin 22.63%
    Fruity 22.28%
    Oily 20.87%
    Mild 20.51%
    Diterpene 20.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.7

    pKa est.
    3.4 (weak acid)

    Molecular weight
    594.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    825°C

    Flash point

    • 215.68 ˚C est.

  • Synonyms

    • Hericenone E
    • (4-((2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl (9Z,12Z)-octadeca-9,12-dienoate
    • [4-[(2E)-3,7-Dimethyl-5-oxoocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (9Z,12Z)-octadeca-9,12-dienoate
    • RefChem:922867
    • (4-((2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl (9E,12E)-octadeca-9,12-dienoate
    • 137592-05-3
    • 2-Hydroxy-4-methoxy-3-(3,7-dimethyl-5-oxo-2,6-octadienyl)-6-[[(9Z,12Z)-1-oxo-9,12-octadecadienyl]oxymethyl]benzaldehyde
    • orb2893478
    • SCHEMBL29543987
    • DTXSID601105285
    • [4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (9Z,12Z)-9,12-octadecadienoate
    • 137592-05-3

  • Applications

    Hericenone E, CAS 137592-05-3, is a natural product isolated from the mushroom Hericium erinaceus and is primarily regarded as a lead compound and research reagent in pharmaceutical and natural products chemistry, with reported in vitro activity related to modulation of nerve growth factor (NGF) pathways. In industrial practice, it is used in R&D to probe bioactivity, inform structure–activity relationships, and serve as an analytical reference for isolation and method development; it may also be evaluated for nutraceutical or functional-food contexts derived from mushroom ingredients, and as a basis for synthesizing analogs or derivatives. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.19
    methanol 55.14
    isopropanol 29.63
    water 0.05
    ethyl acetate 65.81
    n-propanol 53.91
    acetone 148.2
    n-butanol 38.69
    acetonitrile 32.5
    DMF 143.24
    toluene 34.46
    isobutanol 32.49
    1,4-dioxane 89.57
    methyl acetate 74.07
    THF 288.21
    2-butanone 137.31
    n-pentanol 39.62
    sec-butanol 43.61
    n-hexane 2.11
    ethylene glycol 3.36
    NMP 297.54
    cyclohexane 3.44
    DMSO 223.94
    n-butyl acetate 31.5
    n-octanol 11.8
    chloroform 261.24
    n-propyl acetate 48.8
    acetic acid 146.06
    dichloromethane 246.97
    cyclohexanone 216.77
    propylene glycol 11.56
    isopropyl acetate 38.62
    DMAc 366.09
    2-ethoxyethanol 66.92
    isopentanol 28.85
    n-heptane 1.02
    ethyl formate 44.53
    1,2-dichloroethane 149.61
    n-hexanol 18.58
    2-methoxyethanol 73.15
    isobutyl acetate 27.72
    tetrachloromethane 33.76
    n-pentyl acetate 43.2
    transcutol 134.97
    n-heptanol 15.44
    ethylbenzene 17.53
    MIBK 39.9
    2-propoxyethanol 55.36
    tert-butanol 29.0
    MTBE 31.05
    2-butoxyethanol 47.99
    propionic acid 67.83
    o-xylene 20.08
    formic acid 29.79
    diethyl ether 32.81
    m-xylene 15.65
    p-xylene 22.24
    chlorobenzene 56.07
    dimethyl carbonate 43.64
    n-octane 0.69
    formamide 45.7
    cyclopentanone 259.34
    2-pentanone 87.39
    anisole 38.12
    cyclopentyl methyl ether 68.09
    gamma-butyrolactone 237.01
    1-methoxy-2-propanol 63.96
    pyridine 119.33
    3-pentanone 80.78
    furfural 130.7
    n-dodecane 0.53
    diethylene glycol 23.68
    diisopropyl ether 6.68
    tert-amyl alcohol 38.82
    acetylacetone 110.07
    n-hexadecane 0.6
    acetophenone 59.13
    methyl propionate 75.16
    isopentyl acetate 30.8
    trichloroethylene 314.36
    n-nonanol 13.03
    cyclohexanol 45.58
    benzyl alcohol 44.27
    2-ethylhexanol 11.56
    isooctanol 13.8
    dipropyl ether 16.26
    1,2-dichlorobenzene 54.21
    ethyl lactate 27.77
    propylene carbonate 94.41
    n-methylformamide 69.17
    2-pentanol 22.04
    n-pentane 1.68
    1-propoxy-2-propanol 38.49
    1-methoxy-2-propyl acetate 45.81
    2-(2-methoxypropoxy) propanol 42.42
    mesitylene 7.3
    ε-caprolactone 160.82
    p-cymene 6.69
    epichlorohydrin 245.74
    1,1,1-trichloroethane 123.72
    2-aminoethanol 16.5
    morpholine-4-carbaldehyde 146.1
    sulfolane 320.34
    2,2,4-trimethylpentane 1.45
    2-methyltetrahydrofuran 126.51
    n-hexyl acetate 41.59
    isooctane 0.59
    2-(2-butoxyethoxy)ethanol 52.09
    sec-butyl acetate 30.61
    tert-butyl acetate 42.07
    decalin 2.39
    glycerin 16.01
    diglyme 100.54
    acrylic acid 60.75
    isopropyl myristate 12.16
    n-butyric acid 87.29
    acetyl acetate 52.01
    di(2-ethylhexyl) phthalate 20.95
    ethyl propionate 42.66
    nitromethane 201.92
    1,2-diethoxyethane 38.69
    benzonitrile 37.1
    trioctyl phosphate 13.05
    1-bromopropane 62.84
    gamma-valerolactone 289.89
    n-decanol 8.14
    triethyl phosphate 19.99
    4-methyl-2-pentanol 11.51
    propionitrile 36.15
    vinylene carbonate 85.98
    1,1,2-trichlorotrifluoroethane 179.15
    DMS 40.01
    cumene 10.25
    2-octanol 9.95
    2-hexanone 65.17
    octyl acetate 18.81
    limonene 10.45
    1,2-dimethoxyethane 92.37
    ethyl orthosilicate 18.55
    tributyl phosphate 16.61
    diacetone alcohol 59.24
    N,N-dimethylaniline 27.75
    acrylonitrile 46.62
    aniline 47.72
    1,3-propanediol 27.6
    bromobenzene 55.8
    dibromomethane 136.67
    1,1,2,2-tetrachloroethane 254.57
    2-methyl-cyclohexyl acetate 30.99
    tetrabutyl urea 25.69
    diisobutyl methanol 5.79
    2-phenylethanol 28.72
    styrene 21.81
    dioctyl adipate 26.63
    dimethyl sulfate 83.64
    ethyl butyrate 29.55
    methyl lactate 40.08
    butyl lactate 38.77
    diethyl carbonate 20.38
    propanediol butyl ether 32.03
    triethyl orthoformate 24.8
    p-tert-butyltoluene 5.92
    methyl 4-tert-butylbenzoate 48.35
    morpholine 127.25
    tert-butylamine 12.07
    n-dodecanol 5.24
    dimethoxymethane 96.76
    ethylene carbonate 72.22
    cyrene 67.02
    2-ethoxyethyl acetate 66.02
    2-ethylhexyl acetate 23.56
    1,2,4-trichlorobenzene 78.03
    4-methylpyridine 90.15
    dibutyl ether 14.49
    2,6-dimethyl-4-heptanol 5.79
    DEF 96.28
    dimethyl isosorbide 79.04
    tetrachloroethylene 144.81
    eugenol 44.76
    triacetin 57.4
    span 80 40.04
    1,4-butanediol 14.66
    1,1-dichloroethane 116.1
    2-methyl-1-pentanol 35.11
    methyl formate 54.21
    2-methyl-1-butanol 36.24
    n-decane 1.1
    butyronitrile 31.4
    3,7-dimethyl-1-octanol 11.21
    1-chlorooctane 8.26
    1-chlorotetradecane 2.51
    n-nonane 0.92
    undecane 0.72
    tert-butylcyclohexane 1.8
    cyclooctane 0.96
    cyclopentanol 60.42
    tetrahydropyran 109.32
    tert-amyl methyl ether 32.36
    2,5,8-trioxanonane 61.82
    1-hexene 12.22
    2-isopropoxyethanol 45.87
    2,2,2-trifluoroethanol 44.82
    methyl butyrate 62.45

    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