Hericenone G

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  • Identifiers

    CAS number
    141973-36-6

    Molecular formula
    C37H58O6

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 60.77%
    Sweet 40.19%
    Waxy 38.79%
    Woody 34.02%
    Fresh 29.66%
    Balsamic 29.49%
    Powdery 27.47%
    Jasmin 27.36%
    Odorless 27.29%
    Fruity 26.42%

     

    Flavor
    Herbal 34.01%
    Bland 27.78%
    Oily 26.91%
    Woody 26.6%
    Mild 24.61%
    Warm 23.58%
    Waxy 22.04%
    Parsley 21.12%
    Outdoor 20.82%
    Jasmin 20.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.2

    pKa est.
    -10.39 (strong acid)

    Molecular weight
    598.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    782°C

    Melting point expt.

    • 56 - 58 °C

    Flash point

    • 114.49 ˚C est.

  • Synonyms

    • Hericenone G
    • RefChem:1086466
    • (8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl)methyl octadecanoate
    • 141973-36-6
    • SCHEMBL29543331
    • SCHEMBL29862156
    • DTXSID401104231
    • (8-Formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)chroman-7-yl)methyl stearate
    • 8-Formyl-5-methoxy-2-methyl-2-(4'-methyl-2'-oxo-3'-pentenyl)-7-chromanylmethylstrate
    • Octadecanoic acid, [8-formyl-3,4-dihydro-5-methoxy-2-methyl-2-(4-methyl-2-oxo-3-pentenyl)-2H-1-benzopyran-7-yl]methyl ester
    • 141973-36-6

  • Applications

    Hericenone G (CAS 141973-36-6) is a natural product isolated from Hericium erinaceus and is primarily encountered in research and development contexts. In industry, it is commonly treated as a research compound and may be evaluated as a potential lead molecule for pharmaceutical and functional nutrition research; it can serve as an intermediate in organic synthesis to derive related structures from natural sources; it is used as a reference standard or analytical target in phytochemical analyses; and it is considered in cosmetics and personal-care research as part of a natural product library for formulation studies. Its specific use and formulation limits depend on local regulations and labeling requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.52
    methanol 39.0
    isopropanol 25.59
    water 0.23
    ethyl acetate 181.61
    n-propanol 51.48
    acetone 182.95
    n-butanol 39.6
    acetonitrile 79.37
    DMF 222.75
    toluene 92.54
    isobutanol 39.73
    1,4-dioxane 151.95
    methyl acetate 181.17
    THF 346.5
    2-butanone 208.75
    n-pentanol 42.95
    sec-butanol 43.93
    n-hexane 4.46
    ethylene glycol 4.97
    NMP 588.64
    cyclohexane 9.75
    DMSO 203.34
    n-butyl acetate 87.46
    n-octanol 22.84
    chloroform 942.99
    n-propyl acetate 128.93
    acetic acid 223.92
    dichloromethane 916.79
    cyclohexanone 369.23
    propylene glycol 11.78
    isopropyl acetate 100.73
    DMAc 481.54
    2-ethoxyethanol 83.36
    isopentanol 35.51
    n-heptane 2.73
    ethyl formate 114.54
    1,2-dichloroethane 409.66
    n-hexanol 22.52
    2-methoxyethanol 78.27
    isobutyl acetate 79.25
    tetrachloromethane 124.36
    n-pentyl acetate 127.93
    transcutol 179.66
    n-heptanol 25.21
    ethylbenzene 40.06
    MIBK 80.17
    2-propoxyethanol 77.39
    tert-butanol 30.66
    MTBE 43.66
    2-butoxyethanol 79.63
    propionic acid 131.22
    o-xylene 55.95
    formic acid 52.39
    diethyl ether 51.36
    m-xylene 47.99
    p-xylene 59.66
    chlorobenzene 220.31
    dimethyl carbonate 125.39
    n-octane 1.81
    formamide 80.97
    cyclopentanone 466.48
    2-pentanone 157.48
    anisole 84.58
    cyclopentyl methyl ether 145.5
    gamma-butyrolactone 597.67
    1-methoxy-2-propanol 73.1
    pyridine 268.55
    3-pentanone 164.46
    furfural 384.58
    n-dodecane 1.48
    diethylene glycol 35.46
    diisopropyl ether 15.09
    tert-amyl alcohol 44.74
    acetylacetone 242.03
    n-hexadecane 1.74
    acetophenone 136.04
    methyl propionate 194.56
    isopentyl acetate 79.47
    trichloroethylene 1058.55
    n-nonanol 24.49
    cyclohexanol 75.17
    benzyl alcohol 83.89
    2-ethylhexanol 20.74
    isooctanol 25.24
    dipropyl ether 34.26
    1,2-dichlorobenzene 229.22
    ethyl lactate 62.01
    propylene carbonate 307.72
    n-methylformamide 131.48
    2-pentanol 28.59
    n-pentane 3.73
    1-propoxy-2-propanol 60.76
    1-methoxy-2-propyl acetate 106.27
    2-(2-methoxypropoxy) propanol 72.73
    mesitylene 24.1
    ε-caprolactone 354.33
    p-cymene 20.44
    epichlorohydrin 563.32
    1,1,1-trichloroethane 469.84
    2-aminoethanol 19.2
    morpholine-4-carbaldehyde 304.53
    sulfolane 650.08
    2,2,4-trimethylpentane 3.35
    2-methyltetrahydrofuran 214.46
    n-hexyl acetate 106.1
    isooctane 1.42
    2-(2-butoxyethoxy)ethanol 84.3
    sec-butyl acetate 83.02
    tert-butyl acetate 100.24
    decalin 6.64
    glycerin 20.25
    diglyme 184.58
    acrylic acid 135.13
    isopropyl myristate 31.66
    n-butyric acid 170.22
    acetyl acetate 167.65
    di(2-ethylhexyl) phthalate 52.14
    ethyl propionate 114.71
    nitromethane 420.2
    1,2-diethoxyethane 79.2
    benzonitrile 109.78
    trioctyl phosphate 31.96
    1-bromopropane 157.81
    gamma-valerolactone 578.84
    n-decanol 15.79
    triethyl phosphate 56.59
    4-methyl-2-pentanol 17.68
    propionitrile 83.75
    vinylene carbonate 321.37
    1,1,2-trichlorotrifluoroethane 356.04
    DMS 126.93
    cumene 25.1
    2-octanol 19.67
    2-hexanone 116.89
    octyl acetate 47.51
    limonene 27.8
    1,2-dimethoxyethane 132.2
    ethyl orthosilicate 49.22
    tributyl phosphate 42.1
    diacetone alcohol 97.34
    N,N-dimethylaniline 55.31
    acrylonitrile 118.32
    aniline 105.17
    1,3-propanediol 29.68
    bromobenzene 245.97
    dibromomethane 466.93
    1,1,2,2-tetrachloroethane 792.72
    2-methyl-cyclohexyl acetate 77.96
    tetrabutyl urea 56.11
    diisobutyl methanol 12.12
    2-phenylethanol 56.19
    styrene 53.74
    dioctyl adipate 67.12
    dimethyl sulfate 239.0
    ethyl butyrate 80.01
    methyl lactate 82.92
    butyl lactate 84.9
    diethyl carbonate 61.19
    propanediol butyl ether 52.13
    triethyl orthoformate 62.24
    p-tert-butyltoluene 17.35
    methyl 4-tert-butylbenzoate 114.84
    morpholine 184.26
    tert-butylamine 15.01
    n-dodecanol 10.56
    dimethoxymethane 149.84
    ethylene carbonate 265.8
    cyrene 126.33
    2-ethoxyethyl acetate 176.07
    2-ethylhexyl acetate 68.84
    1,2,4-trichlorobenzene 312.0
    4-methylpyridine 223.26
    dibutyl ether 33.91
    2,6-dimethyl-4-heptanol 12.12
    DEF 183.47
    dimethyl isosorbide 167.64
    tetrachloroethylene 465.98
    eugenol 97.46
    triacetin 172.86
    span 80 70.1
    1,4-butanediol 19.22
    1,1-dichloroethane 360.61
    2-methyl-1-pentanol 44.15
    methyl formate 123.78
    2-methyl-1-butanol 46.75
    n-decane 3.05
    butyronitrile 65.54
    3,7-dimethyl-1-octanol 22.96
    1-chlorooctane 22.54
    1-chlorotetradecane 7.32
    n-nonane 2.56
    undecane 1.99
    tert-butylcyclohexane 4.47
    cyclooctane 3.25
    cyclopentanol 93.23
    tetrahydropyran 171.35
    tert-amyl methyl ether 51.07
    2,5,8-trioxanonane 110.53
    1-hexene 22.11
    2-isopropoxyethanol 65.39
    2,2,2-trifluoroethanol 115.48
    methyl butyrate 154.95

    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