3-Methyl-1-(2,4,6-Trihydroxyphenyl)Butan-1-One

Overview IFRA Request a quote

  • Identifiers

    CAS number
    26103-97-9

    Molecular formula
    C11H14O4

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.15%
    Phenolic 40.68%
    Spicy 25.0%
    Woody 23.34%
    Burnt 22.81%
    Animal 22.17%
    Smoky 20.83%
    Medicinal 20.49%
    Cooling 20.42%
    Balsamic 19.83%

     

    Flavor
    Bitter 67.02%
    Odorless 32.53%
    Mild 25.67%
    Bland 25.49%
    Cedarleaf 21.23%
    Parsley 20.04%
    Green pepper 19.99%
    Creosote 19.84%
    Lovage 19.8%
    Thymol 19.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.35 (weak base)

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    363°C

    Melting point expt.

    • 145 °C

    Flash point

    • 185.7 ˚C est.

  • Synonyms

    • phlorisovalerophenone
    • 3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
    • CHEBI:15951
    • DTXSID70331570
    • RefChem:1068164
    • DTXCID20282664
    • 26103-97-9
    • 1-Butanone, 3-methyl-1-(2,4,6-trihydroxyphenyl)-
    • 2,4,6-Trihydroxyisovalerophenone
    • 3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone
    • CHEMBL19948
    • Phloroisovalerophenone
    • PIVP
    • C07350
    • 3-methylbutyrylphloroglucinol
    • orb1680578
    • SCHEMBL6276169
    • BDBM50196895
    • MFCD19302346
    • AKOS022506150
    • CCG-261043
    • CS-0789477
    • H51787
    • 2',4',6'-Trihydroxy-3-methylbutyrophenone, 8CI
    • (2-methylpropyl) (2,4,6-trihydroxyphenyl) ketone
    • Q27098317
    • NCGC00385687-01!3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
    • 26103-97-9

  • Applications

    3-Methyl-1-(2,4,6-Trihydroxyphenyl)Butan-1-One, CAS 26103-97-9, is primarily used as an intermediate in the synthesis of fragrance and cosmetic ingredients and can function as a building block for aroma compounds in perfumery and flavor applications. Its polyphenolic arylbutanone structure suggests potential as an antioxidant or stabilizer in polymer systems and coatings, helping to improve durability and oxidative resistance. The compound can also serve as a dye or pigment precursor in coatings and inks. It may be employed as a synthetic building block in pharmaceutical chemistry, and overall its use may be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 166.55
    methanol 245.83
    isopropanol 121.38
    water 2.3
    ethyl acetate 75.54
    n-propanol 102.79
    acetone 171.26
    n-butanol 100.06
    acetonitrile 90.09
    DMF 841.72
    toluene 3.54
    isobutanol 73.33
    1,4-dioxane 118.56
    methyl acetate 91.74
    THF 685.3
    2-butanone 79.83
    n-pentanol 68.33
    sec-butanol 62.96
    n-hexane 0.84
    ethylene glycol 191.54
    NMP 585.34
    cyclohexane 0.62
    DMSO 1308.72
    n-butyl acetate 69.23
    n-octanol 44.43
    chloroform 13.93
    n-propyl acetate 67.21
    acetic acid 378.06
    dichloromethane 16.66
    cyclohexanone 136.24
    propylene glycol 417.79
    isopropyl acetate 54.1
    DMAc 331.4
    2-ethoxyethanol 185.37
    isopentanol 81.8
    n-heptane 1.2
    ethyl formate 115.92
    1,2-dichloroethane 19.0
    n-hexanol 83.36
    2-methoxyethanol 624.79
    isobutyl acetate 44.31
    tetrachloromethane 2.72
    n-pentyl acetate 43.25
    transcutol 384.55
    n-heptanol 40.39
    ethylbenzene 3.87
    MIBK 65.76
    2-propoxyethanol 288.8
    tert-butanol 169.99
    MTBE 27.32
    2-butoxyethanol 117.95
    propionic acid 178.78
    o-xylene 3.87
    formic acid 241.09
    diethyl ether 16.37
    m-xylene 6.54
    p-xylene 5.14
    chlorobenzene 9.0
    dimethyl carbonate 98.52
    n-octane 0.54
    formamide 307.26
    cyclopentanone 340.73
    2-pentanone 83.38
    anisole 27.15
    cyclopentyl methyl ether 94.79
    gamma-butyrolactone 571.95
    1-methoxy-2-propanol 597.13
    pyridine 36.51
    3-pentanone 31.75
    furfural 310.77
    n-dodecane 0.89
    diethylene glycol 353.18
    diisopropyl ether 7.03
    tert-amyl alcohol 80.52
    acetylacetone 175.13
    n-hexadecane 1.0
    acetophenone 46.41
    methyl propionate 101.37
    isopentyl acetate 59.78
    trichloroethylene 40.88
    n-nonanol 38.57
    cyclohexanol 62.98
    benzyl alcohol 55.51
    2-ethylhexanol 36.65
    isooctanol 33.03
    dipropyl ether 21.69
    1,2-dichlorobenzene 12.73
    ethyl lactate 115.66
    propylene carbonate 298.09
    n-methylformamide 387.87
    2-pentanol 54.35
    n-pentane 0.61
    1-propoxy-2-propanol 206.45
    1-methoxy-2-propyl acetate 144.79
    2-(2-methoxypropoxy) propanol 151.87
    mesitylene 5.14
    ε-caprolactone 173.34
    p-cymene 7.61
    epichlorohydrin 305.53
    1,1,1-trichloroethane 14.96
    2-aminoethanol 268.38
    morpholine-4-carbaldehyde 452.31
    sulfolane 929.6
    2,2,4-trimethylpentane 1.07
    2-methyltetrahydrofuran 162.02
    n-hexyl acetate 73.07
    isooctane 1.45
    2-(2-butoxyethoxy)ethanol 208.3
    sec-butyl acetate 36.4
    tert-butyl acetate 80.8
    decalin 1.2
    glycerin 617.45
    diglyme 255.65
    acrylic acid 202.46
    isopropyl myristate 26.07
    n-butyric acid 228.11
    acetyl acetate 63.44
    di(2-ethylhexyl) phthalate 43.54
    ethyl propionate 59.95
    nitromethane 572.91
    1,2-diethoxyethane 48.43
    benzonitrile 45.34
    trioctyl phosphate 38.67
    1-bromopropane 6.77
    gamma-valerolactone 518.17
    n-decanol 28.65
    triethyl phosphate 36.14
    4-methyl-2-pentanol 44.72
    propionitrile 52.84
    vinylene carbonate 192.66
    1,1,2-trichlorotrifluoroethane 293.2
    DMS 69.95
    cumene 4.82
    2-octanol 26.37
    2-hexanone 61.23
    octyl acetate 40.74
    limonene 10.62
    1,2-dimethoxyethane 211.19
    ethyl orthosilicate 29.53
    tributyl phosphate 43.72
    diacetone alcohol 264.67
    N,N-dimethylaniline 24.01
    acrylonitrile 93.9
    aniline 22.69
    1,3-propanediol 329.7
    bromobenzene 5.78
    dibromomethane 8.66
    1,1,2,2-tetrachloroethane 37.55
    2-methyl-cyclohexyl acetate 52.19
    tetrabutyl urea 60.16
    diisobutyl methanol 27.54
    2-phenylethanol 62.12
    styrene 3.85
    dioctyl adipate 52.12
    dimethyl sulfate 213.4
    ethyl butyrate 54.28
    methyl lactate 254.19
    butyl lactate 86.42
    diethyl carbonate 38.94
    propanediol butyl ether 203.41
    triethyl orthoformate 40.75
    p-tert-butyltoluene 9.01
    methyl 4-tert-butylbenzoate 80.71
    morpholine 225.07
    tert-butylamine 44.29
    n-dodecanol 20.12
    dimethoxymethane 324.2
    ethylene carbonate 146.68
    cyrene 201.78
    2-ethoxyethyl acetate 70.7
    2-ethylhexyl acetate 35.65
    1,2,4-trichlorobenzene 20.89
    4-methylpyridine 43.28
    dibutyl ether 19.28
    2,6-dimethyl-4-heptanol 27.54
    DEF 112.14
    dimethyl isosorbide 269.49
    tetrachloroethylene 16.35
    eugenol 96.75
    triacetin 87.77
    span 80 143.48
    1,4-butanediol 118.21
    1,1-dichloroethane 14.21
    2-methyl-1-pentanol 51.14
    methyl formate 338.08
    2-methyl-1-butanol 61.11
    n-decane 1.23
    butyronitrile 62.81
    3,7-dimethyl-1-octanol 44.78
    1-chlorooctane 8.15
    1-chlorotetradecane 3.68
    n-nonane 0.97
    undecane 1.07
    tert-butylcyclohexane 1.67
    cyclooctane 0.36
    cyclopentanol 145.13
    tetrahydropyran 60.57
    tert-amyl methyl ether 24.21
    2,5,8-trioxanonane 210.41
    1-hexene 4.39
    2-isopropoxyethanol 110.95
    2,2,2-trifluoroethanol 129.57
    methyl butyrate 88.78

    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