Grifolin

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  • Identifiers

    CAS number
    6903-07-7

    Molecular formula
    C22H32O2

    SMILES
    CC1=CC(=C(C(=C1)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 51.71%
    Fruity 47.74%
    Woody 41.37%
    Balsamic 37.99%
    Spicy 33.11%
    Sweet 29.16%
    Waxy 27.7%
    Rose 26.2%
    Fresh 25.93%
    Citrus 24.18%

     

    Flavor
    Woody 41.52%
    Wood 34.1%
    Balsam 33.52%
    Floral 28.47%
    Herbal 28.29%
    Spicy 28.14%
    Spice 26.88%
    Flower 25.24%
    Balsamic 25.17%
    Mild 24.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    10.36 (weak base)

    Molecular weight
    328.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    419°C

    Melting point expt.

    • 43 °C

    Flash point

    • 187.48 ˚C est.

  • Synonyms

    • Grifolin
    • 6903-07-7
    • 5-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol
    • 5P6UA2GF78
    • DTXSID401044417
    • 5-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzene-1,3-diol
    • 5-METHYL-2-((2E,6E)-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-YL)-1,3-BENZENEDIOL
    • 5-methyl-2-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)benzene-1,3-diol
    • 5-methyl-2-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
    • 5-Methyl-2-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,3-benzenediol
    • RefChem:144429
    • DTXCID50891804
    • 3,8,12-trimethyl-5,7,11-tridecatriene-3,4-diol
    • 6379-55-1
    • Grifolinterpenoid
    • 1,3-Benzenediol, 5-methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-
    • Resorcinol, 5-methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-
    • Grifolin[terpenoid]
    • 2-Farnesyl-5-methylresorcinol
    • Grifolin?terpenoid?
    • CHEMBL487804
    • orb1682466
    • SCHEMBL21065400
    • CHEBI:170125
    • PZHNKNRPGLTZPO-VZRGJMDUSA-N
    • HY-N9271
    • BDBM50458916
    • AKOS040761803
    • EBC-618566
    • CS-0159145
    • Q15634172
    • Hexadecyltrimethylammonium pentachlorophenoxide (6CI,7CI)
    • Ammonium, hexadecyltrimethyl-, pentachlorophenoxide (8CI)
    • E,E,5-Methyl-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol
    • 1,3-Benzenediol, 5-methyl-2-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-
    • 5-Methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol, 9CI
    • 5-Methyl-2-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-1,3-benzenediol #
    • 1,3-BENZENEDIOL, 5-METHYL-2-((2E,6E)-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-YL)-
    • 6903-07-7

  • Applications

    Grifolin, CAS 6903-07-7, is a natural product encountered mainly in chemical and pharmaceutical research. Real-world applications are limited and primarily involve: acting as a lead scaffold for structure-activity studies in drug discovery; serving as a reference compound in analytical workflows for mushroom-derived extracts; supporting synthetic-method development in natural-product chemistry; being evaluated for biological activity in academic settings (for example antifungal/antibacterial screening) without implying therapeutic claims; and having potential for exploration in agrochemical or materials research, though current uses are largely at the research scale and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 142.76
    methanol 85.21
    isopropanol 72.53
    water 0.01
    ethyl acetate 224.09
    n-propanol 118.21
    acetone 149.8
    n-butanol 140.3
    acetonitrile 27.13
    DMF 92.01
    toluene 83.76
    isobutanol 64.63
    1,4-dioxane 393.95
    methyl acetate 106.5
    THF 1001.71
    2-butanone 227.97
    n-pentanol 104.86
    sec-butanol 99.48
    n-hexane 15.93
    ethylene glycol 1.19
    NMP 104.33
    cyclohexane 19.81
    DMSO 110.86
    n-butyl acetate 179.21
    n-octanol 50.44
    chloroform 210.36
    n-propyl acetate 143.94
    acetic acid 35.21
    dichloromethane 170.81
    cyclohexanone 246.11
    propylene glycol 9.55
    isopropyl acetate 151.38
    DMAc 194.28
    2-ethoxyethanol 141.04
    isopentanol 117.42
    n-heptane 12.94
    ethyl formate 51.26
    1,2-dichloroethane 123.36
    n-hexanol 120.77
    2-methoxyethanol 163.6
    isobutyl acetate 110.43
    tetrachloromethane 24.12
    n-pentyl acetate 121.4
    transcutol 861.34
    n-heptanol 68.01
    ethylbenzene 46.3
    MIBK 140.98
    2-propoxyethanol 227.96
    tert-butanol 122.14
    MTBE 287.29
    2-butoxyethanol 147.33
    propionic acid 33.41
    o-xylene 41.58
    formic acid 5.84
    diethyl ether 334.38
    m-xylene 56.98
    p-xylene 54.21
    chlorobenzene 65.95
    dimethyl carbonate 30.64
    n-octane 4.59
    formamide 14.95
    cyclopentanone 265.89
    2-pentanone 215.98
    anisole 138.85
    cyclopentyl methyl ether 269.99
    gamma-butyrolactone 188.31
    1-methoxy-2-propanol 168.95
    pyridine 177.07
    3-pentanone 141.8
    furfural 105.62
    n-dodecane 3.22
    diethylene glycol 51.57
    diisopropyl ether 74.09
    tert-amyl alcohol 130.2
    acetylacetone 183.68
    n-hexadecane 3.87
    acetophenone 96.11
    methyl propionate 119.59
    isopentyl acetate 177.53
    trichloroethylene 193.35
    n-nonanol 58.81
    cyclohexanol 83.39
    benzyl alcohol 63.92
    2-ethylhexanol 86.2
    isooctanol 63.55
    dipropyl ether 189.41
    1,2-dichlorobenzene 59.35
    ethyl lactate 37.81
    propylene carbonate 91.11
    n-methylformamide 31.3
    2-pentanol 87.95
    n-pentane 10.67
    1-propoxy-2-propanol 194.9
    1-methoxy-2-propyl acetate 208.17
    2-(2-methoxypropoxy) propanol 165.66
    mesitylene 35.99
    ε-caprolactone 208.21
    p-cymene 35.93
    epichlorohydrin 334.99
    1,1,1-trichloroethane 117.73
    2-aminoethanol 11.84
    morpholine-4-carbaldehyde 174.65
    sulfolane 173.23
    2,2,4-trimethylpentane 10.33
    2-methyltetrahydrofuran 474.14
    n-hexyl acetate 156.88
    isooctane 8.09
    2-(2-butoxyethoxy)ethanol 255.53
    sec-butyl acetate 134.26
    tert-butyl acetate 202.68
    decalin 12.57
    glycerin 14.09
    diglyme 464.69
    acrylic acid 15.77
    isopropyl myristate 65.45
    n-butyric acid 117.46
    acetyl acetate 82.01
    di(2-ethylhexyl) phthalate 51.5
    ethyl propionate 125.02
    nitromethane 77.24
    1,2-diethoxyethane 347.24
    benzonitrile 46.57
    trioctyl phosphate 35.29
    1-bromopropane 108.03
    gamma-valerolactone 345.78
    n-decanol 38.68
    triethyl phosphate 59.17
    4-methyl-2-pentanol 60.61
    propionitrile 43.23
    vinylene carbonate 60.29
    1,1,2-trichlorotrifluoroethane 103.43
    DMS 69.41
    cumene 34.75
    2-octanol 43.32
    2-hexanone 169.4
    octyl acetate 80.7
    limonene 59.78
    1,2-dimethoxyethane 379.67
    ethyl orthosilicate 71.92
    tributyl phosphate 43.42
    diacetone alcohol 167.91
    N,N-dimethylaniline 84.54
    acrylonitrile 31.16
    aniline 68.7
    1,3-propanediol 45.21
    bromobenzene 70.23
    dibromomethane 116.25
    1,1,2,2-tetrachloroethane 186.24
    2-methyl-cyclohexyl acetate 129.23
    tetrabutyl urea 58.86
    diisobutyl methanol 50.27
    2-phenylethanol 93.62
    styrene 47.84
    dioctyl adipate 96.71
    dimethyl sulfate 41.06
    ethyl butyrate 149.04
    methyl lactate 33.3
    butyl lactate 75.6
    diethyl carbonate 72.51
    propanediol butyl ether 88.78
    triethyl orthoformate 127.02
    p-tert-butyltoluene 39.96
    methyl 4-tert-butylbenzoate 118.61
    morpholine 514.27
    tert-butylamine 72.15
    n-dodecanol 26.45
    dimethoxymethane 195.7
    ethylene carbonate 60.97
    cyrene 104.38
    2-ethoxyethyl acetate 178.8
    2-ethylhexyl acetate 145.46
    1,2,4-trichlorobenzene 77.27
    4-methylpyridine 157.59
    dibutyl ether 124.15
    2,6-dimethyl-4-heptanol 50.27
    DEF 163.48
    dimethyl isosorbide 297.56
    tetrachloroethylene 89.67
    eugenol 103.05
    triacetin 127.71
    span 80 144.28
    1,4-butanediol 11.53
    1,1-dichloroethane 104.05
    2-methyl-1-pentanol 115.88
    methyl formate 21.03
    2-methyl-1-butanol 111.33
    n-decane 7.45
    butyronitrile 79.97
    3,7-dimethyl-1-octanol 63.12
    1-chlorooctane 41.13
    1-chlorotetradecane 12.66
    n-nonane 6.33
    undecane 4.59
    tert-butylcyclohexane 14.44
    cyclooctane 6.91
    cyclopentanol 65.93
    tetrahydropyran 570.54
    tert-amyl methyl ether 193.66
    2,5,8-trioxanonane 282.92
    1-hexene 65.66
    2-isopropoxyethanol 119.69
    2,2,2-trifluoroethanol 6.85
    methyl butyrate 153.8

    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