2,4,6-Trimethylbenzophenone

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  • Identifiers

    CAS number
    954-16-5

    Molecular formula
    C16H16O

    SMILES
    CC1=CC(=C(C(=C1)C)C(=O)C2=CC=CC=C2)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 69.43%
    Neroli 41.07%
    Sweet 39.89%
    Animal 38.97%
    Powdery 37.72%
    Woody 35.64%
    Musk 33.36%
    Phenolic 32.31%
    Dry 32.17%
    Honey 30.92%

     

    Flavor
    Bitter 53.07%
    Phenolic 22.28%
    Animal 21.75%
    Very strong 21.54%
    Indole 21.24%
    Flat 20.81%
    Nitrile 20.72%
    Lovage 20.61%
    Styrene 20.31%
    Heather 20.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.02 (weak base)

    Molecular weight
    224.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    354°C

    Flash point

    • 148.87 ˚C est.

  • Synonyms

    • 2,4,6-Trimethylbenzophenone
    • 954-16-5
    • Methanone, phenyl(2,4,6-trimethylphenyl)-
    • Ketone, mesityl phenyl
    • Benzophenone, 2,4,6-trimethyl-
    • Mesitylene, 2-benzoyl-
    • DTXSID8061349
    • EC 403-150-9
    • NSC 26923
    • RefChem:82145
    • 2,4,6-Trimetilbenzofenon
    • DTXCID6048963
    • 403-150-9
    • 619-126-8
    • HPAFOABSQZMTHE-UHFFFAOYSA-N
    • Mesityl(phenyl)methanone
    • Mesityl phenyl ketone
    • phenyl-(2,4,6-trimethylphenyl)methanone
    • Benzoylmesitylene
    • MFCD02685558
    • MLS002639152
    • Mesityl phenyl ketone; NSC 26923
    • phenyl(2,4,6-trimethylphenyl)methanone
    • Benzoylmesitylen
    • Mesitylphenylketon
    • 2,6-Trimethylbenzophenone
    • Mesityl(phenyl)methanone #
    • SCHEMBL50648
    • Benzophenone,4,6-trimethyl-
    • SCHEMBL466291
    • SCHEMBL466292
    • CHEMBL1731681
    • SCHEMBL28006236
    • HMS3091D13
    • NSC26923
    • Sodium 4-octanoyloxybenzenesulfonate
    • AC2341
    • MSK161477
    • NSC-26923
    • AKOS005925360
    • FT70717
    • MSK161477-1000A
    • DS-18260
    • SMR001548602
    • SY033644
    • DB-019846
    • phenyl-(2,4,6-trimethyl-phenyl)-methanone
    • NS00005559
    • 954T165
    • AE-641/00381039
    • F228744
    • Q63408707
    • 2,4,6-Trimethylbenzophenone Solution in Acetonitrile, 1000ug/mL
    • 954-16-5

  • Applications

    2,4,6-Trimethylbenzophenone (CAS 954-16-5) is primarily used as an organic synthesis intermediate, serving as a building block for specialty compounds including fragrance precursors and benzophenone-derived materials. It may be employed as a precursor in the synthesis of UV-absorbing benzophenone derivatives for coatings, inks, and plastics, helping tailor photostability in outdoor or decorative applications. In UV-curing formulations, it can act as a photoinitiator or co-initiator in certain systems. It is also used as a research reagent in polymer and materials science, supporting studies on photochemical and oxidative stability. Subject to local regulations and formulation limits, its use is handled under appropriate safety practices.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1461.09
    methanol 1676.35
    isopropanol 1137.73
    water 1.39
    ethyl acetate 2362.78
    n-propanol 1422.81
    acetone 3663.05
    n-butanol 1408.05
    acetonitrile 3564.78
    DMF 4743.1
    toluene 2004.73
    isobutanol 1162.28
    1,4-dioxane 5404.04
    methyl acetate 1940.63
    THF 6878.7
    2-butanone 2530.93
    n-pentanol 782.71
    sec-butanol 862.53
    n-hexane 417.25
    ethylene glycol 144.3
    NMP 2950.13
    cyclohexane 762.62
    DMSO 1365.39
    n-butyl acetate 1293.1
    n-octanol 342.44
    chloroform 5008.5
    n-propyl acetate 953.72
    acetic acid 1096.67
    dichloromethane 5086.75
    cyclohexanone 4720.82
    propylene glycol 188.11
    isopropyl acetate 1131.24
    DMAc 1827.89
    2-ethoxyethanol 818.44
    isopentanol 1099.22
    n-heptane 198.87
    ethyl formate 1414.59
    1,2-dichloroethane 4786.89
    n-hexanol 1024.83
    2-methoxyethanol 1881.86
    isobutyl acetate 597.93
    tetrachloromethane 570.05
    n-pentyl acetate 644.61
    transcutol 1517.81
    n-heptanol 392.46
    ethylbenzene 649.1
    MIBK 1118.89
    2-propoxyethanol 1311.68
    tert-butanol 1045.58
    MTBE 1345.05
    2-butoxyethanol 565.93
    propionic acid 882.12
    o-xylene 635.44
    formic acid 269.65
    diethyl ether 3688.55
    m-xylene 951.81
    p-xylene 697.63
    chlorobenzene 1944.42
    dimethyl carbonate 963.7
    n-octane 85.77
    formamide 778.04
    cyclopentanone 4788.44
    2-pentanone 2635.34
    anisole 1126.55
    cyclopentyl methyl ether 3180.86
    gamma-butyrolactone 3969.97
    1-methoxy-2-propanol 1185.24
    pyridine 3960.38
    3-pentanone 1836.07
    furfural 2183.97
    n-dodecane 52.58
    diethylene glycol 582.15
    diisopropyl ether 642.36
    tert-amyl alcohol 678.35
    acetylacetone 1712.2
    n-hexadecane 65.24
    acetophenone 775.37
    methyl propionate 1919.4
    isopentyl acetate 959.6
    trichloroethylene 6199.98
    n-nonanol 303.9
    cyclohexanol 1546.68
    benzyl alcohol 715.72
    2-ethylhexanol 496.1
    isooctanol 310.58
    dipropyl ether 979.63
    1,2-dichlorobenzene 1236.03
    ethyl lactate 289.01
    propylene carbonate 1584.93
    n-methylformamide 2249.24
    2-pentanol 907.23
    n-pentane 364.79
    1-propoxy-2-propanol 759.47
    1-methoxy-2-propyl acetate 835.98
    2-(2-methoxypropoxy) propanol 341.42
    mesitylene 483.31
    ε-caprolactone 2440.54
    p-cymene 241.86
    epichlorohydrin 5062.74
    1,1,1-trichloroethane 2610.87
    2-aminoethanol 423.47
    morpholine-4-carbaldehyde 2430.7
    sulfolane 2618.11
    2,2,4-trimethylpentane 93.13
    2-methyltetrahydrofuran 3958.65
    n-hexyl acetate 893.99
    isooctane 90.08
    2-(2-butoxyethoxy)ethanol 573.26
    sec-butyl acetate 579.59
    tert-butyl acetate 928.31
    decalin 204.15
    glycerin 210.73
    diglyme 1359.74
    acrylic acid 742.64
    isopropyl myristate 290.62
    n-butyric acid 1519.3
    acetyl acetate 978.36
    di(2-ethylhexyl) phthalate 204.61
    ethyl propionate 910.81
    nitromethane 2609.14
    1,2-diethoxyethane 1157.06
    benzonitrile 1192.95
    trioctyl phosphate 172.02
    1-bromopropane 2388.04
    gamma-valerolactone 4322.18
    n-decanol 213.21
    triethyl phosphate 261.65
    4-methyl-2-pentanol 425.26
    propionitrile 2419.9
    vinylene carbonate 1503.06
    1,1,2-trichlorotrifluoroethane 1227.71
    DMS 729.64
    cumene 338.87
    2-octanol 278.52
    2-hexanone 1058.32
    octyl acetate 380.87
    limonene 416.39
    1,2-dimethoxyethane 2078.97
    ethyl orthosilicate 257.44
    tributyl phosphate 213.81
    diacetone alcohol 779.9
    N,N-dimethylaniline 607.5
    acrylonitrile 2475.37
    aniline 1534.44
    1,3-propanediol 785.58
    bromobenzene 2020.41
    dibromomethane 3406.32
    1,1,2,2-tetrachloroethane 3968.04
    2-methyl-cyclohexyl acetate 460.01
    tetrabutyl urea 294.38
    diisobutyl methanol 247.39
    2-phenylethanol 699.93
    styrene 882.75
    dioctyl adipate 358.44
    dimethyl sulfate 910.61
    ethyl butyrate 718.44
    methyl lactate 447.91
    butyl lactate 334.15
    diethyl carbonate 431.49
    propanediol butyl ether 322.27
    triethyl orthoformate 438.7
    p-tert-butyltoluene 230.08
    methyl 4-tert-butylbenzoate 487.57
    morpholine 5917.78
    tert-butylamine 744.6
    n-dodecanol 159.71
    dimethoxymethane 3432.27
    ethylene carbonate 1448.67
    cyrene 417.74
    2-ethoxyethyl acetate 755.12
    2-ethylhexyl acetate 753.07
    1,2,4-trichlorobenzene 1275.67
    4-methylpyridine 3720.66
    dibutyl ether 671.73
    2,6-dimethyl-4-heptanol 247.39
    DEF 2613.54
    dimethyl isosorbide 772.04
    tetrachloroethylene 2486.8
    eugenol 428.24
    triacetin 487.78
    span 80 327.52
    1,4-butanediol 254.23
    1,1-dichloroethane 3574.17
    2-methyl-1-pentanol 636.8
    methyl formate 1693.41
    2-methyl-1-butanol 1037.53
    n-decane 101.47
    butyronitrile 2638.18
    3,7-dimethyl-1-octanol 291.55
    1-chlorooctane 411.92
    1-chlorotetradecane 136.66
    n-nonane 108.11
    undecane 71.36
    tert-butylcyclohexane 155.4
    cyclooctane 211.38
    cyclopentanol 1416.65
    tetrahydropyran 6341.67
    tert-amyl methyl ether 863.61
    2,5,8-trioxanonane 693.46
    1-hexene 994.2
    2-isopropoxyethanol 516.18
    2,2,2-trifluoroethanol 387.87
    methyl butyrate 1199.95

    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