4-(p-Tolyl)-2-butanone

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  • Identifiers

    CAS number
    7774-79-0

    Molecular formula
    C11H14O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 87.91%
    Fruity 76.08%
    Sweet 68.18%
    Green 54.61%
    Balsamic 42.86%
    Jasmin 37.74%
    Cherry 37.23%
    Powdery 36.61%
    Fresh 36.42%
    Berry 35.29%

     

    Flavor
    Sweet 78.81%
    Fruity 61.47%
    Floral 57.37%
    Spicy 46.04%
    Rose 39.62%
    Cherry 38.35%
    Balsam 36.99%
    Raspberry 36.57%
    Bitter 31.25%
    Powdery 29.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.34 (weak base)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 243.00 to 244.00 °C. @ 760.00 mm Hg

    Flash point

    • 98.67 ˚C est.

    Solubility expt.

    • very slightly
    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 4-(4-Methylphenyl)-2-butanone
    • 7774-79-0
    • 4-(p-Tolyl)butan-2-one
    • 4-(4-methylphenyl)butan-2-one
    • 2-Butanone, 4-(4-methylphenyl)-
    • 4-(p-Tolyl)-2-butanone
    • 4-(4-Tolyl)-2-butanone
    • 2-Butanone, 4-p-tolyl-
    • p-Methylbenzylacetone
    • FEMA No. 3074
    • Methylbenzylacetone, p-
    • UNII-B98IK70Y98
    • B98IK70Y98
    • MFCD00156655
    • AI3-20955
    • DTXSID00228363
    • 4-(P-TOLYL)-2-BUTANONE [FHFI]
    • 4-(para-tolyl)-2-butanone
    • 4-p-Tolyl-2-Butanone
    • SCHEMBL363773
    • 1-(4-methylphenyl)butan-3-one
    • FEMA 3074
    • DTXCID20150854
    • HAA77479
    • AKOS000348624
    • CS-11470
    • SY022010
    • DB-305061
    • CS-0455759
    • NS00022783
    • EN300-52483
    • Q27274540
    • Z406376788
    • 616-497-8

  • Applications

    4-(p-Tolyl)-2-butanone (CAS 7774-79-0) is primarily used as an intermediate in chemical synthesis and as a fragrance ingredient, with applications in the fragrance industry and in cosmetics/personal care formulations. It is commonly employed as a precursor to more complex aroma compounds for perfumery and may appear as a fragrance component in household products. In industrial manufacturing, it can serve as a building block for related aroma chemicals and specialty additives, and may be used in polymers/plastics formulations as a reactive intermediate. Depending on formulation requirements and local regulations, it may also find use in coatings/inks and other industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1189.9
    methanol 859.49
    isopropanol 973.35
    water 2.09
    ethyl acetate 1220.9
    n-propanol 821.45
    acetone 1294.22
    n-butanol 680.78
    acetonitrile 1231.29
    DMF 956.96
    toluene 300.56
    isobutanol 535.07
    1,4-dioxane 1813.8
    methyl acetate 1259.38
    THF 1033.32
    2-butanone 1118.84
    n-pentanol 495.87
    sec-butanol 701.47
    n-hexane 80.86
    ethylene glycol 268.29
    NMP 400.86
    cyclohexane 61.25
    DMSO 719.56
    n-butyl acetate 528.91
    n-octanol 235.24
    chloroform 1921.64
    n-propyl acetate 474.27
    acetic acid 561.46
    dichloromethane 1403.15
    cyclohexanone 745.93
    propylene glycol 601.85
    isopropyl acetate 537.81
    DMAc 929.45
    2-ethoxyethanol 768.5
    isopentanol 498.11
    n-heptane 52.1
    ethyl formate 459.34
    1,2-dichloroethane 807.48
    n-hexanol 584.09
    2-methoxyethanol 1126.1
    isobutyl acetate 303.35
    tetrachloromethane 174.1
    n-pentyl acetate 229.82
    transcutol 2391.88
    n-heptanol 202.74
    ethylbenzene 219.5
    MIBK 340.88
    2-propoxyethanol 937.82
    tert-butanol 909.67
    MTBE 711.03
    2-butoxyethanol 398.13
    propionic acid 661.04
    o-xylene 200.5
    formic acid 165.61
    diethyl ether 848.12
    m-xylene 197.78
    p-xylene 254.71
    chlorobenzene 357.67
    dimethyl carbonate 267.76
    n-octane 26.56
    formamide 328.19
    cyclopentanone 727.05
    2-pentanone 689.44
    anisole 563.7
    cyclopentyl methyl ether 432.78
    gamma-butyrolactone 757.2
    1-methoxy-2-propanol 910.41
    pyridine 856.49
    3-pentanone 572.87
    furfural 685.69
    n-dodecane 24.59
    diethylene glycol 614.31
    diisopropyl ether 178.3
    tert-amyl alcohol 630.83
    acetylacetone 670.31
    n-hexadecane 27.12
    acetophenone 390.12
    methyl propionate 783.32
    isopentyl acetate 425.79
    trichloroethylene 1480.93
    n-nonanol 204.5
    cyclohexanol 411.73
    benzyl alcohol 388.95
    2-ethylhexanol 295.16
    isooctanol 160.36
    dipropyl ether 391.11
    1,2-dichlorobenzene 292.52
    ethyl lactate 230.63
    propylene carbonate 433.22
    n-methylformamide 505.85
    2-pentanol 468.9
    n-pentane 44.73
    1-propoxy-2-propanol 621.42
    1-methoxy-2-propyl acetate 556.35
    2-(2-methoxypropoxy) propanol 415.71
    mesitylene 110.93
    ε-caprolactone 639.64
    p-cymene 110.26
    epichlorohydrin 1053.39
    1,1,1-trichloroethane 824.18
    2-aminoethanol 570.27
    morpholine-4-carbaldehyde 887.78
    sulfolane 549.41
    2,2,4-trimethylpentane 29.5
    2-methyltetrahydrofuran 814.64
    n-hexyl acetate 387.76
    isooctane 24.18
    2-(2-butoxyethoxy)ethanol 606.88
    sec-butyl acetate 345.81
    tert-butyl acetate 450.12
    decalin 54.78
    glycerin 484.58
    diglyme 979.89
    acrylic acid 460.07
    isopropyl myristate 160.28
    n-butyric acid 722.07
    acetyl acetate 520.56
    di(2-ethylhexyl) phthalate 139.49
    ethyl propionate 471.16
    nitromethane 1007.87
    1,2-diethoxyethane 768.06
    benzonitrile 414.09
    trioctyl phosphate 93.35
    1-bromopropane 504.99
    gamma-valerolactone 1060.04
    n-decanol 159.78
    triethyl phosphate 151.81
    4-methyl-2-pentanol 226.73
    propionitrile 805.44
    vinylene carbonate 440.12
    1,1,2-trichlorotrifluoroethane 668.11
    DMS 381.03
    cumene 145.26
    2-octanol 138.83
    2-hexanone 479.89
    octyl acetate 196.88
    limonene 156.33
    1,2-dimethoxyethane 1039.72
    ethyl orthosilicate 149.35
    tributyl phosphate 131.04
    diacetone alcohol 500.78
    N,N-dimethylaniline 297.16
    acrylonitrile 818.2
    aniline 440.73
    1,3-propanediol 643.9
    bromobenzene 362.93
    dibromomethane 884.22
    1,1,2,2-tetrachloroethane 1164.78
    2-methyl-cyclohexyl acetate 250.99
    tetrabutyl urea 161.69
    diisobutyl methanol 156.34
    2-phenylethanol 359.37
    styrene 288.77
    dioctyl adipate 216.58
    dimethyl sulfate 315.76
    ethyl butyrate 377.93
    methyl lactate 312.08
    butyl lactate 203.43
    diethyl carbonate 254.16
    propanediol butyl ether 403.41
    triethyl orthoformate 233.8
    p-tert-butyltoluene 108.62
    methyl 4-tert-butylbenzoate 274.18
    morpholine 1753.41
    tert-butylamine 472.44
    n-dodecanol 126.95
    dimethoxymethane 627.8
    ethylene carbonate 386.21
    cyrene 281.32
    2-ethoxyethyl acetate 419.91
    2-ethylhexyl acetate 304.37
    1,2,4-trichlorobenzene 358.94
    4-methylpyridine 764.72
    dibutyl ether 330.76
    2,6-dimethyl-4-heptanol 156.34
    DEF 613.74
    dimethyl isosorbide 504.54
    tetrachloroethylene 633.9
    eugenol 287.44
    triacetin 425.38
    span 80 327.71
    1,4-butanediol 286.45
    1,1-dichloroethane 1081.92
    2-methyl-1-pentanol 400.32
    methyl formate 368.78
    2-methyl-1-butanol 468.04
    n-decane 40.96
    butyronitrile 651.59
    3,7-dimethyl-1-octanol 226.68
    1-chlorooctane 152.86
    1-chlorotetradecane 62.78
    n-nonane 40.67
    undecane 30.77
    tert-butylcyclohexane 62.41
    cyclooctane 23.64
    cyclopentanol 380.34
    tetrahydropyran 1085.71
    tert-amyl methyl ether 423.31
    2,5,8-trioxanonane 655.88
    1-hexene 346.83
    2-isopropoxyethanol 547.55
    2,2,2-trifluoroethanol 189.35
    methyl butyrate 534.44

    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