2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone

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  • Identifiers

    CAS number
    35932-36-6

    Molecular formula
    C15H20O4

    SMILES
    CC(C)C(=O)C1=C(C=C(C(=C1O)CC=C(C)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 38.81%
    Spicy 37.52%
    Phenolic 34.75%
    Herbal 33.84%
    Fruity 32.68%
    Dry 27.8%
    Sweet 27.51%
    Odorless 25.72%
    Mint 22.26%
    Citrus 20.99%

     

    Flavor
    Bitter 71.93%
    Odorless 23.26%
    Herbal 22.02%
    Cedarleaf 21.15%
    Bland 20.85%
    Parsley 20.31%
    Broom 20.13%
    Lovage 19.99%
    Genet 19.81%
    Heather 19.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    10.01 (weak base)

    Molecular weight
    264.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    438°C

    Melting point expt.

    • 166 °C

    Flash point

    • 185.13 ˚C est.

  • Synonyms

    • 2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone
    • 35932-36-6
    • 2-methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-1-one
    • 2-(2-methylpropanoyl)-4-prenylphloroglucinol
    • 2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-1-propanone
    • 2-methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one
    • dimethylallyl-phlorisobutyrophenone
    • LW94MTC8LE
    • 4-prenylphlorisobutanophenone
    • CHEMBL3970720
    • SCHEMBL24075565
    • SCHEMBL31576809
    • CHEBI:134342
    • DTXSID601148057
    • 2-isobutyryl-4-prenylphloroglucinol
    • 2-isobutanoyl-4-prenylphloroglucinol
    • 2-(2-methylpropionyl)-4-prenylphloroglucinol
    • 2-(3',3'-dimethylallyl)-4-isobutyrylphloroglucinol
    • {3-(3-methyl-2-butenyl)-2,4,6-trihydroxyphenyl} (2-propyl) ketone
    • 1-Propanone, 2-methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-
    • 2-Methyl-1-(3-(3-methylbut-2-enyl)-2,4,6-tris(oxidanyl)phenyl)propan-1-one
    • 35932-36-6

  • Applications

    2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone (CAS 35932-36-6) is a polyphenol acetophenone derivative bearing a prenyl substituent and multiple phenolic hydroxyl groups. In practice, it is commonly evaluated as a fragrance ingredient in perfumery and personal care products; as a potential odorant or fragrance fixative in household formulations; as an antioxidant and stabilizer for polymers, coatings, and formulation systems; as a chemical intermediate for the synthesis of more complex phenolic compounds or as a research and development feedstock in organic chemistry; and may be explored for consumer household applications involving scents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 226.32
    methanol 228.33
    isopropanol 250.95
    water 0.1
    ethyl acetate 153.05
    n-propanol 218.14
    acetone 337.78
    n-butanol 210.5
    acetonitrile 108.57
    DMF 1021.59
    toluene 28.48
    isobutanol 167.14
    1,4-dioxane 251.99
    methyl acetate 174.73
    THF 1178.28
    2-butanone 263.43
    n-pentanol 139.21
    sec-butanol 187.17
    n-hexane 3.7
    ethylene glycol 70.24
    NMP 647.25
    cyclohexane 3.65
    DMSO 1041.56
    n-butyl acetate 109.1
    n-octanol 54.63
    chloroform 130.5
    n-propyl acetate 89.29
    acetic acid 170.94
    dichloromethane 107.46
    cyclohexanone 328.14
    propylene glycol 256.63
    isopropyl acetate 106.26
    DMAc 660.75
    2-ethoxyethanol 183.01
    isopentanol 181.25
    n-heptane 2.35
    ethyl formate 108.93
    1,2-dichloroethane 117.77
    n-hexanol 154.26
    2-methoxyethanol 462.95
    isobutyl acetate 68.24
    tetrachloromethane 15.84
    n-pentyl acetate 67.48
    transcutol 255.23
    n-heptanol 68.87
    ethylbenzene 19.93
    MIBK 135.18
    2-propoxyethanol 282.2
    tert-butanol 352.77
    MTBE 121.98
    2-butoxyethanol 135.44
    propionic acid 161.24
    o-xylene 22.0
    formic acid 65.51
    diethyl ether 69.0
    m-xylene 31.16
    p-xylene 27.57
    chlorobenzene 46.54
    dimethyl carbonate 102.5
    n-octane 1.35
    formamide 134.45
    cyclopentanone 692.75
    2-pentanone 221.93
    anisole 74.74
    cyclopentyl methyl ether 235.42
    gamma-butyrolactone 634.69
    1-methoxy-2-propanol 476.34
    pyridine 141.57
    3-pentanone 112.74
    furfural 283.03
    n-dodecane 1.69
    diethylene glycol 223.95
    diisopropyl ether 24.35
    tert-amyl alcohol 230.45
    acetylacetone 248.8
    n-hexadecane 1.94
    acetophenone 88.48
    methyl propionate 175.26
    isopentyl acetate 105.31
    trichloroethylene 222.34
    n-nonanol 49.21
    cyclohexanol 166.62
    benzyl alcohol 95.4
    2-ethylhexanol 69.88
    isooctanol 57.22
    dipropyl ether 41.26
    1,2-dichlorobenzene 45.92
    ethyl lactate 88.26
    propylene carbonate 261.24
    n-methylformamide 303.88
    2-pentanol 138.24
    n-pentane 2.72
    1-propoxy-2-propanol 179.57
    1-methoxy-2-propyl acetate 148.89
    2-(2-methoxypropoxy) propanol 115.15
    mesitylene 19.86
    ε-caprolactone 259.48
    p-cymene 19.81
    epichlorohydrin 561.07
    1,1,1-trichloroethane 95.92
    2-aminoethanol 173.1
    morpholine-4-carbaldehyde 387.48
    sulfolane 814.86
    2,2,4-trimethylpentane 4.08
    2-methyltetrahydrofuran 432.02
    n-hexyl acetate 92.95
    isooctane 3.68
    2-(2-butoxyethoxy)ethanol 151.66
    sec-butyl acetate 63.89
    tert-butyl acetate 141.17
    decalin 4.86
    glycerin 272.37
    diglyme 220.83
    acrylic acid 130.89
    isopropyl myristate 33.9
    n-butyric acid 214.71
    acetyl acetate 78.76
    di(2-ethylhexyl) phthalate 45.13
    ethyl propionate 83.99
    nitromethane 302.57
    1,2-diethoxyethane 69.78
    benzonitrile 78.78
    trioctyl phosphate 40.33
    1-bromopropane 52.31
    gamma-valerolactone 563.25
    n-decanol 36.78
    triethyl phosphate 43.99
    4-methyl-2-pentanol 90.34
    propionitrile 111.35
    vinylene carbonate 156.47
    1,1,2-trichlorotrifluoroethane 295.47
    DMS 80.8
    cumene 18.79
    2-octanol 46.92
    2-hexanone 115.45
    octyl acetate 50.4
    limonene 29.68
    1,2-dimethoxyethane 261.24
    ethyl orthosilicate 39.46
    tributyl phosphate 40.87
    diacetone alcohol 274.51
    N,N-dimethylaniline 59.11
    acrylonitrile 136.7
    aniline 86.37
    1,3-propanediol 282.16
    bromobenzene 35.87
    dibromomethane 71.04
    1,1,2,2-tetrachloroethane 205.2
    2-methyl-cyclohexyl acetate 73.28
    tetrabutyl urea 59.11
    diisobutyl methanol 39.89
    2-phenylethanol 104.55
    styrene 21.15
    dioctyl adipate 54.73
    dimethyl sulfate 210.48
    ethyl butyrate 66.38
    methyl lactate 179.36
    butyl lactate 79.1
    diethyl carbonate 46.26
    propanediol butyl ether 147.08
    triethyl orthoformate 49.52
    p-tert-butyltoluene 22.01
    methyl 4-tert-butylbenzoate 94.3
    morpholine 434.1
    tert-butylamine 119.71
    n-dodecanol 26.01
    dimethoxymethane 397.46
    ethylene carbonate 137.34
    cyrene 163.26
    2-ethoxyethyl acetate 88.44
    2-ethylhexyl acetate 73.21
    1,2,4-trichlorobenzene 68.41
    4-methylpyridine 164.64
    dibutyl ether 30.03
    2,6-dimethyl-4-heptanol 39.89
    DEF 203.54
    dimethyl isosorbide 213.47
    tetrachloroethylene 85.63
    eugenol 96.39
    triacetin 78.37
    span 80 112.69
    1,4-butanediol 92.61
    1,1-dichloroethane 108.63
    2-methyl-1-pentanol 122.39
    methyl formate 214.73
    2-methyl-1-butanol 150.77
    n-decane 2.51
    butyronitrile 128.66
    3,7-dimethyl-1-octanol 56.04
    1-chlorooctane 17.65
    1-chlorotetradecane 7.27
    n-nonane 2.05
    undecane 2.07
    tert-butylcyclohexane 5.38
    cyclooctane 1.57
    cyclopentanol 288.53
    tetrahydropyran 242.02
    tert-amyl methyl ether 92.59
    2,5,8-trioxanonane 156.76
    1-hexene 19.75
    2-isopropoxyethanol 136.68
    2,2,2-trifluoroethanol 64.28
    methyl butyrate 122.93

    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