Bolegrevilol

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  • Identifiers

    CAS number
    123941-64-0

    Molecular formula
    C28H40O4

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 60.41%
    Fruity 43.36%
    Woody 42.37%
    Balsamic 40.96%
    Waxy 35.96%
    Rose 31.87%
    Sweet 30.57%
    Fresh 30.15%
    Powdery 26.93%
    Spicy 26.78%

     

    Flavor
    Floral 45.14%
    Woody 44.98%
    Wood 32.7%
    Balsam 31.27%
    Flower 28.44%
    Mild 26.46%
    Herbal 26.25%
    Spicy 25.0%
    Waxy 24.79%
    Balsamic 24.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    10.02 (weak base)

    Molecular weight
    440.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    486°C

    Flash point

    • 229.39 ˚C est.

  • Synonyms

    • Bolegrevilol
    • 2,4-dihydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]phenyl acetate
    • CHEMBL485669
    • SCHEMBL30978008
    • SCHEMBL30978009
    • CHEBI:185657
    • DTXSID001116117
    • 123941-64-0
    • 4-Acetoxy-5-geranylgeranyl-1,3-benzenediol
    • [2,4-dihydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl] acetate
    • 1,2,4-Benzenetriol, 6-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-, 1-acetate
    • 123941-64-0

  • Applications

    Bolegrevilol (CAS 123941-64-0) is regarded as an intermediate in dye and pigment synthesis and may function as a solvent or co-solvent in manufacturing processes; it can act as a stabilizer or antioxidant for polymers and plastics; it may participate as a chelating agent in cleaning formulations; it is evaluated as an additive for coatings and inks; and it shows potential for fragrance-related applications as an odorant or fixative in perfumery.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.55
    methanol 16.54
    isopropanol 18.44
    water 0.01
    ethyl acetate 54.64
    n-propanol 34.3
    acetone 53.84
    n-butanol 29.81
    acetonitrile 7.11
    DMF 90.63
    toluene 21.54
    isobutanol 20.52
    1,4-dioxane 76.87
    methyl acetate 42.22
    THF 435.89
    2-butanone 94.53
    n-pentanol 33.9
    sec-butanol 40.18
    n-hexane 3.49
    ethylene glycol 0.59
    NMP 131.59
    cyclohexane 2.77
    DMSO 115.98
    n-butyl acetate 39.76
    n-octanol 14.76
    chloroform 140.34
    n-propyl acetate 45.38
    acetic acid 31.65
    dichloromethane 108.48
    cyclohexanone 102.67
    propylene glycol 4.39
    isopropyl acetate 38.98
    DMAc 275.08
    2-ethoxyethanol 62.47
    isopentanol 25.72
    n-heptane 1.63
    ethyl formate 18.57
    1,2-dichloroethane 62.45
    n-hexanol 22.51
    2-methoxyethanol 54.48
    isobutyl acetate 31.86
    tetrachloromethane 13.51
    n-pentyl acetate 41.78
    transcutol 208.74
    n-heptanol 16.82
    ethylbenzene 16.59
    MIBK 36.8
    2-propoxyethanol 65.31
    tert-butanol 29.9
    MTBE 68.77
    2-butoxyethanol 52.55
    propionic acid 22.65
    o-xylene 14.81
    formic acid 4.73
    diethyl ether 50.4
    m-xylene 12.64
    p-xylene 18.96
    chlorobenzene 27.26
    dimethyl carbonate 17.65
    n-octane 0.82
    formamide 8.71
    cyclopentanone 128.43
    2-pentanone 60.87
    anisole 51.73
    cyclopentyl methyl ether 76.75
    gamma-butyrolactone 97.01
    1-methoxy-2-propanol 59.49
    pyridine 63.75
    3-pentanone 51.69
    furfural 57.16
    n-dodecane 0.6
    diethylene glycol 14.63
    diisopropyl ether 11.32
    tert-amyl alcohol 55.22
    acetylacetone 58.75
    n-hexadecane 0.7
    acetophenone 48.24
    methyl propionate 46.79
    isopentyl acetate 44.94
    trichloroethylene 135.4
    n-nonanol 17.17
    cyclohexanol 26.02
    benzyl alcohol 28.2
    2-ethylhexanol 17.09
    isooctanol 16.68
    dipropyl ether 30.39
    1,2-dichlorobenzene 27.27
    ethyl lactate 20.23
    propylene carbonate 45.26
    n-methylformamide 19.6
    2-pentanol 21.98
    n-pentane 1.95
    1-propoxy-2-propanol 53.13
    1-methoxy-2-propyl acetate 65.06
    2-(2-methoxypropoxy) propanol 63.7
    mesitylene 6.74
    ε-caprolactone 99.76
    p-cymene 7.76
    epichlorohydrin 170.32
    1,1,1-trichloroethane 60.7
    2-aminoethanol 5.06
    morpholine-4-carbaldehyde 108.97
    sulfolane 144.46
    2,2,4-trimethylpentane 2.52
    2-methyltetrahydrofuran 168.28
    n-hexyl acetate 50.69
    isooctane 1.12
    2-(2-butoxyethoxy)ethanol 79.42
    sec-butyl acetate 40.74
    tert-butyl acetate 53.7
    decalin 2.9
    glycerin 6.33
    diglyme 151.08
    acrylic acid 14.63
    isopropyl myristate 17.01
    n-butyric acid 43.08
    acetyl acetate 25.83
    di(2-ethylhexyl) phthalate 19.36
    ethyl propionate 42.95
    nitromethane 52.88
    1,2-diethoxyethane 67.5
    benzonitrile 16.31
    trioctyl phosphate 12.53
    1-bromopropane 46.44
    gamma-valerolactone 169.82
    n-decanol 10.61
    triethyl phosphate 22.33
    4-methyl-2-pentanol 14.37
    propionitrile 13.94
    vinylene carbonate 30.52
    1,1,2-trichlorotrifluoroethane 85.38
    DMS 30.0
    cumene 12.17
    2-octanol 12.33
    2-hexanone 61.67
    octyl acetate 22.92
    limonene 12.42
    1,2-dimethoxyethane 126.88
    ethyl orthosilicate 25.66
    tributyl phosphate 16.1
    diacetone alcohol 58.58
    N,N-dimethylaniline 37.51
    acrylonitrile 12.23
    aniline 25.29
    1,3-propanediol 12.49
    bromobenzene 28.44
    dibromomethane 65.35
    1,1,2,2-tetrachloroethane 136.3
    2-methyl-cyclohexyl acetate 42.62
    tetrabutyl urea 23.84
    diisobutyl methanol 10.39
    2-phenylethanol 27.11
    styrene 18.02
    dioctyl adipate 31.67
    dimethyl sulfate 36.85
    ethyl butyrate 36.41
    methyl lactate 17.81
    butyl lactate 33.23
    diethyl carbonate 20.75
    propanediol butyl ether 31.96
    triethyl orthoformate 37.45
    p-tert-butyltoluene 7.7
    methyl 4-tert-butylbenzoate 47.95
    morpholine 136.73
    tert-butylamine 15.57
    n-dodecanol 6.71
    dimethoxymethane 77.78
    ethylene carbonate 26.66
    cyrene 58.13
    2-ethoxyethyl acetate 66.7
    2-ethylhexyl acetate 36.46
    1,2,4-trichlorobenzene 39.87
    4-methylpyridine 60.4
    dibutyl ether 26.3
    2,6-dimethyl-4-heptanol 10.39
    DEF 78.55
    dimethyl isosorbide 115.29
    tetrachloroethylene 58.67
    eugenol 44.72
    triacetin 54.85
    span 80 48.44
    1,4-butanediol 5.32
    1,1-dichloroethane 55.71
    2-methyl-1-pentanol 39.68
    methyl formate 12.79
    2-methyl-1-butanol 32.92
    n-decane 1.46
    butyronitrile 17.49
    3,7-dimethyl-1-octanol 16.4
    1-chlorooctane 9.84
    1-chlorotetradecane 2.82
    n-nonane 1.19
    undecane 0.87
    tert-butylcyclohexane 3.16
    cyclooctane 0.9
    cyclopentanol 28.06
    tetrahydropyran 125.75
    tert-amyl methyl ether 62.52
    2,5,8-trioxanonane 97.27
    1-hexene 18.07
    2-isopropoxyethanol 50.57
    2,2,2-trifluoroethanol 7.94
    methyl butyrate 56.41

    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