4-Isopropyldibenzoylmethane

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  • Identifiers

    CAS number
    63250-25-9

    Molecular formula
    C18H18O2

    SMILES
    CC(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 53.5%
    Herbal 46.71%
    Floral 41.15%
    Sweet 33.64%
    Spicy 33.62%
    Fruity 31.56%
    Honey 30.92%
    Woody 30.46%
    Green 28.38%
    Animal 27.87%

     

    Flavor
    Herbal 36.93%
    Balsam 31.49%
    Bitter 27.15%
    Honey 21.88%
    Valerian 21.28%
    Lovage 20.85%
    Balsamic 20.58%
    Odorless 20.36%
    Sweet 20.19%
    Urine 20.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.87 (neutral)

    Molecular weight
    266.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    398°C

    Flash point

    • 179.65 ˚C est.

  • Synonyms

    • 63250-25-9
    • 1,3-Propanedione, 1-[4-(1-methylethyl)phenyl]-3-phenyl-
    • 4-isopropyldibenzoylmethane
    • 5C2KI275PO
    • Eusolex 8020
    • Eusolex-8021
    • 1,3-Propanedione, 1-(4-(1-methylethyl)phenyl)-3-phenyl-
    • DTXSID8069802
    • RefChem:792169
    • DTXCID4043802
    • DTXCID40390159
    • 264-043-9
    • DTXSID60439337
    • Isopropyl dibenzoylmethane
    • Eusolex 8021
    • 1-phenyl-3-[4-(propan-2-yl)phenyl]propane-1,3-dione
    • Eusolex-8020
    • 1-(4-isopropylphenyl)-3-phenylpropane-1,3-dione
    • 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
    • 1-(4-isopropylphenyl)-3-phenyl-1,3-propanedione
    • EINECS 264-043-9
    • UNII-5C2KI275PO
    • 5-Isopropyl-di-benzoylmethane
    • 1-(4-Isopropylphenyl)-3-phenyl-1,3-propandione
    • isopropyldibenzoylmethane
    • 4-isopropyl-dibenzoylmethane
    • SCHEMBL38900
    • 4-isopropyl-di-benzoylmethane
    • 1-(4-(1-Methylethyl)phenyl)-3-phenyl-1,3-propanedione
    • 1-(4-(1-Methylethyl)phenyl)-3-phenylpropane-1,3-dione
    • LALVCWMSKLEQMK-UHFFFAOYSA-N
    • AKOS008122309
    • DA-04175
    • ISOPROPYLDIBENZOYLMETHANE [WHO-DD]
    • CS-0289524
    • NS00002764
    • EN300-91452
    • G59253
    • Q27261810
    • Z381218952
    • 63250-25-9

  • Applications

    4-Isopropyldibenzoylmethane (CAS 63250-25-9) is primarily used as an organic-synthesis intermediate, enabling access to diaryl beta-diketone motifs common in specialty chemicals. It may serve as a precursor or building block in fragrance and cosmetic chemistry, including development of aroma-related derivatives and UV-stabilizing components. In coatings and inks, it can be explored as a photostability-related additive or structural element for dye and pigment chemistry. In the polymers and plastics sector, it can function as an intermediate for functional materials and stabilization approaches. Actual applications depend on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.2
    methanol 54.58
    isopropanol 18.92
    water 0.05
    ethyl acetate 236.01
    n-propanol 47.1
    acetone 215.16
    n-butanol 35.72
    acetonitrile 136.98
    DMF 630.17
    toluene 196.08
    isobutanol 25.19
    1,4-dioxane 321.05
    methyl acetate 265.19
    THF 526.07
    2-butanone 286.73
    n-pentanol 27.62
    sec-butanol 24.68
    n-hexane 2.67
    ethylene glycol 8.57
    NMP 551.97
    cyclohexane 4.6
    DMSO 329.61
    n-butyl acetate 122.19
    n-octanol 5.28
    chloroform 1125.75
    n-propyl acetate 117.52
    acetic acid 81.58
    dichloromethane 1167.22
    cyclohexanone 361.31
    propylene glycol 18.5
    isopropyl acetate 137.44
    DMAc 865.03
    2-ethoxyethanol 92.8
    isopentanol 34.94
    n-heptane 1.24
    ethyl formate 77.28
    1,2-dichloroethane 976.2
    n-hexanol 25.52
    2-methoxyethanol 149.08
    isobutyl acetate 70.68
    tetrachloromethane 38.78
    n-pentyl acetate 39.34
    transcutol 654.46
    n-heptanol 9.54
    ethylbenzene 69.26
    MIBK 109.75
    2-propoxyethanol 112.39
    tert-butanol 33.3
    MTBE 77.72
    2-butoxyethanol 44.57
    propionic acid 78.57
    o-xylene 77.14
    formic acid 27.74
    diethyl ether 128.96
    m-xylene 69.94
    p-xylene 72.35
    chlorobenzene 318.75
    dimethyl carbonate 174.74
    n-octane 0.42
    formamide 110.55
    cyclopentanone 561.81
    2-pentanone 177.88
    anisole 239.11
    cyclopentyl methyl ether 185.15
    gamma-butyrolactone 582.35
    1-methoxy-2-propanol 113.42
    pyridine 518.35
    3-pentanone 210.54
    furfural 434.08
    n-dodecane 0.39
    diethylene glycol 73.43
    diisopropyl ether 27.31
    tert-amyl alcohol 32.46
    acetylacetone 334.71
    n-hexadecane 0.5
    acetophenone 200.13
    methyl propionate 256.48
    isopentyl acetate 110.67
    trichloroethylene 1687.22
    n-nonanol 6.19
    cyclohexanol 40.44
    benzyl alcohol 113.69
    2-ethylhexanol 18.73
    isooctanol 9.79
    dipropyl ether 48.7
    1,2-dichlorobenzene 296.31
    ethyl lactate 51.77
    propylene carbonate 236.3
    n-methylformamide 184.71
    2-pentanol 19.92
    n-pentane 1.34
    1-propoxy-2-propanol 69.36
    1-methoxy-2-propyl acetate 194.53
    2-(2-methoxypropoxy) propanol 94.65
    mesitylene 34.43
    ε-caprolactone 286.4
    p-cymene 23.77
    epichlorohydrin 962.39
    1,1,1-trichloroethane 429.02
    2-aminoethanol 27.71
    morpholine-4-carbaldehyde 479.8
    sulfolane 586.52
    2,2,4-trimethylpentane 2.25
    2-methyltetrahydrofuran 267.85
    n-hexyl acetate 46.92
    isooctane 1.59
    2-(2-butoxyethoxy)ethanol 109.23
    sec-butyl acetate 92.83
    tert-butyl acetate 159.27
    decalin 6.06
    glycerin 34.99
    diglyme 329.42
    acrylic acid 87.93
    isopropyl myristate 21.49
    n-butyric acid 92.57
    acetyl acetate 166.83
    di(2-ethylhexyl) phthalate 29.36
    ethyl propionate 134.87
    nitromethane 413.51
    1,2-diethoxyethane 172.36
    benzonitrile 155.01
    trioctyl phosphate 13.05
    1-bromopropane 237.1
    gamma-valerolactone 578.82
    n-decanol 4.63
    triethyl phosphate 59.52
    4-methyl-2-pentanol 16.47
    propionitrile 125.01
    vinylene carbonate 221.72
    1,1,2-trichlorotrifluoroethane 352.53
    DMS 159.84
    cumene 33.1
    2-octanol 4.73
    2-hexanone 117.38
    octyl acetate 23.94
    limonene 32.16
    1,2-dimethoxyethane 246.32
    ethyl orthosilicate 51.44
    tributyl phosphate 24.23
    diacetone alcohol 131.81
    N,N-dimethylaniline 114.45
    acrylonitrile 217.81
    aniline 188.33
    1,3-propanediol 40.18
    bromobenzene 366.95
    dibromomethane 611.8
    1,1,2,2-tetrachloroethane 1241.06
    2-methyl-cyclohexyl acetate 79.84
    tetrabutyl urea 33.01
    diisobutyl methanol 15.83
    2-phenylethanol 83.59
    styrene 115.41
    dioctyl adipate 53.26
    dimethyl sulfate 306.02
    ethyl butyrate 102.82
    methyl lactate 93.22
    butyl lactate 38.88
    diethyl carbonate 81.59
    propanediol butyl ether 33.21
    triethyl orthoformate 74.58
    p-tert-butyltoluene 23.35
    methyl 4-tert-butylbenzoate 90.59
    morpholine 376.0
    tert-butylamine 19.01
    n-dodecanol 3.74
    dimethoxymethane 350.22
    ethylene carbonate 165.53
    cyrene 113.33
    2-ethoxyethyl acetate 118.46
    2-ethylhexyl acetate 89.24
    1,2,4-trichlorobenzene 378.04
    4-methylpyridine 418.03
    dibutyl ether 23.82
    2,6-dimethyl-4-heptanol 15.83
    DEF 316.33
    dimethyl isosorbide 244.03
    tetrachloroethylene 535.48
    eugenol 79.32
    triacetin 107.63
    span 80 50.63
    1,4-butanediol 14.99
    1,1-dichloroethane 533.27
    2-methyl-1-pentanol 35.06
    methyl formate 130.07
    2-methyl-1-butanol 34.9
    n-decane 0.63
    butyronitrile 78.82
    3,7-dimethyl-1-octanol 12.17
    1-chlorooctane 6.68
    1-chlorotetradecane 3.02
    n-nonane 0.52
    undecane 0.48
    tert-butylcyclohexane 4.8
    cyclooctane 1.35
    cyclopentanol 46.26
    tetrahydropyran 242.99
    tert-amyl methyl ether 66.74
    2,5,8-trioxanonane 201.97
    1-hexene 21.26
    2-isopropoxyethanol 66.0
    2,2,2-trifluoroethanol 44.23
    methyl butyrate 153.61

    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