Ethanone, 1-(2,4,6-trimethylphenyl)-

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  • Identifiers

    CAS number
    1667-01-2

    Molecular formula
    C11H14O

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

  • Odor profile

    Fragrance
    Floral 62.33%
    Woody 58.8%
    Sweet 55.71%
    Powdery 41.28%
    Green 40.06%
    Dry 39.98%
    Phenolic 38.08%
    Tobacco 36.12%
    Animal 34.32%
    Hay 34.14%

     

    Flavor
    Woody 56.13%
    Sweet 45.08%
    Floral 42.09%
    Musty 32.72%
    Phenolic 32.49%
    Powdery 30.81%
    Tobacco 30.32%
    Earthy 29.46%
    Dry 28.4%
    Leather 28.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.12 (weak base)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point

    • 108.38 ˚C est.

  • Synonyms

    • 1667-01-2
    • 2',4',6'-TRIMETHYLACETOPHENONE
    • 1-Mesitylethanone
    • Acetomesitylene
    • Acetylmesitylene
    • Ethanone, 1-(2,4,6-trimethylphenyl)-
    • Mesityl methyl ketone
    • 1-(2,4,6-trimethylphenyl)ethanone
    • Acetophenone, 2',4',6'-trimethyl-
    • 2,4,6-trimethylacetophenone
    • Methyl 2,4,6-trimethylphenyl ketone
    • 1,3,5-Trimethyl-2-acetylbenzene
    • NSC 65636
    • 1-mesitylethan-1-one
    • AI3-11164
    • 1-acetyl-2,4,6-trimethylbenzene
    • EINECS 216-783-9
    • MFCD00008735
    • J9E8ZRC2WE
    • 51885-97-3
    • 1-(2,4,6-trimethylphenyl)ethan-1-one
    • DTXSID1061865
    • NSC-65636
    • 1-(2,4,6-trimethyl-phenyl)-ethanone
    • 1-(2,4,6-Trimethylphenyl)-1-ethanone
    • 2-Acetylmesitylene
    • 1-Mesitylethanone #
    • Methyl mesityl ketone
    • UNII-J9E8ZRC2WE
    • R1204
    • NCIOpen2_000113
    • 2',6'-Trimethylacetophenone
    • SCHEMBL698413
    • 2,4,6-Trimethyl-acetophenone
    • 1,5-Trimethyl-2-acetylbenzene
    • Acetophenone,4',6'-trimethyl-
    • DTXCID2035350
    • Ethanone,4,6-trimethylphenyl)-
    • acetophenone, 2,4,6-trimethyl-
    • Methyl 2,6-trimethylphenyl ketone
    • 2',4', 6'-trimethylacetophenone
    • 2',4',6'-trimethyl acetophenone
    • ALBB-022477
    • NSC65636
    • 2', 4', 6'-trimethylacetophenone
    • (2',4',6'-Trimethyl)acetophenone
    • STL281391
    • 1-(2,4,6-Trimethylphenyl)-ethanone
    • AKOS000120526
    • FT70931
    • Ethanone,1-(2,4,6-trimethylphenyl)-
    • s10572
    • AS-10615
    • BP-12622
    • SY008923
    • 2',4',6'-Trimethylacetophenone, 97+%
    • DB-019843
    • DB-302838
    • Acetophenone, 2',4',6'-trimethyl-(8CI)
    • CS-0074269
    • NS00025454
    • EN300-20900
    • 2',4',6'-Trimethylacetophenone, >=98.0% (GC)
    • Q63396022
    • F2146-0688
    • 2 inverted exclamation mark ,4 inverted exclamation mark ,6 inverted exclamation mark -Trimethylacetophenone
    • 216-783-9

  • Applications

    Ethanone, 1-(2,4,6-trimethylphenyl)- CAS 1667-01-2 is commonly used as a fragrance ingredient in perfumery and cosmetics, serving as an odorant in personal care and household product formulations. It also functions as a chemical intermediate in organic synthesis, providing a building block for dyes, pharmaceuticals, and other specialty chemicals. In industrial manufacturing, it may be used as a solvent or processing aid in various formulation and production processes. Additionally, it acts as a building block for mesityl-substituted compounds used in coatings, adhesives, and polymer-related research. Use is subject to local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2741.6
    methanol 3803.05
    isopropanol 1602.18
    water 9.94
    ethyl acetate 3888.39
    n-propanol 2095.62
    acetone 5491.4
    n-butanol 1835.32
    acetonitrile 6887.43
    DMF 5057.12
    toluene 2727.89
    isobutanol 1334.86
    1,4-dioxane 10644.87
    methyl acetate 3417.33
    THF 13399.64
    2-butanone 3080.55
    n-pentanol 1065.44
    sec-butanol 1281.87
    n-hexane 910.22
    ethylene glycol 350.21
    NMP 4212.76
    cyclohexane 2309.17
    DMSO 2291.61
    n-butyl acetate 2181.84
    n-octanol 646.17
    chloroform 7937.44
    n-propyl acetate 1486.34
    acetic acid 2245.05
    dichloromethane 9740.51
    cyclohexanone 6094.41
    propylene glycol 335.66
    isopropyl acetate 1712.04
    DMAc 1834.65
    2-ethoxyethanol 1211.47
    isopentanol 1133.86
    n-heptane 741.52
    ethyl formate 2828.47
    1,2-dichloroethane 5757.23
    n-hexanol 2009.72
    2-methoxyethanol 2831.37
    isobutyl acetate 736.95
    tetrachloromethane 1592.63
    n-pentyl acetate 1018.47
    transcutol 2189.37
    n-heptanol 568.53
    ethylbenzene 906.99
    MIBK 1273.14
    2-propoxyethanol 2540.68
    tert-butanol 1407.8
    MTBE 1836.2
    2-butoxyethanol 772.62
    propionic acid 1465.61
    o-xylene 913.24
    formic acid 908.23
    diethyl ether 5650.65
    m-xylene 1405.66
    p-xylene 1029.55
    chlorobenzene 2793.03
    dimethyl carbonate 1430.63
    n-octane 208.85
    formamide 1602.5
    cyclopentanone 6482.99
    2-pentanone 3199.52
    anisole 1508.55
    cyclopentyl methyl ether 5989.74
    gamma-butyrolactone 7634.54
    1-methoxy-2-propanol 1600.52
    pyridine 4892.4
    3-pentanone 2423.57
    furfural 3423.65
    n-dodecane 129.92
    diethylene glycol 1214.94
    diisopropyl ether 997.17
    tert-amyl alcohol 947.91
    acetylacetone 2619.43
    n-hexadecane 158.65
    acetophenone 947.25
    methyl propionate 2899.57
    isopentyl acetate 1327.52
    trichloroethylene 8153.08
    n-nonanol 516.54
    cyclohexanol 2485.46
    benzyl alcohol 883.09
    2-ethylhexanol 919.5
    isooctanol 387.96
    dipropyl ether 2112.87
    1,2-dichlorobenzene 1724.63
    ethyl lactate 398.08
    propylene carbonate 3165.35
    n-methylformamide 3585.42
    2-pentanol 1137.28
    n-pentane 898.38
    1-propoxy-2-propanol 1352.78
    1-methoxy-2-propyl acetate 1423.17
    2-(2-methoxypropoxy) propanol 496.52
    mesitylene 735.83
    ε-caprolactone 4011.48
    p-cymene 464.31
    epichlorohydrin 7511.03
    1,1,1-trichloroethane 4228.77
    2-aminoethanol 699.6
    morpholine-4-carbaldehyde 3968.7
    sulfolane 4074.71
    2,2,4-trimethylpentane 181.87
    2-methyltetrahydrofuran 7640.25
    n-hexyl acetate 1539.24
    isooctane 170.46
    2-(2-butoxyethoxy)ethanol 834.67
    sec-butyl acetate 764.31
    tert-butyl acetate 1400.24
    decalin 430.85
    glycerin 370.32
    diglyme 1847.38
    acrylic acid 1212.52
    isopropyl myristate 474.97
    n-butyric acid 2189.32
    acetyl acetate 1967.45
    di(2-ethylhexyl) phthalate 316.82
    ethyl propionate 1450.85
    nitromethane 5156.7
    1,2-diethoxyethane 1833.52
    benzonitrile 1704.07
    trioctyl phosphate 295.73
    1-bromopropane 3574.74
    gamma-valerolactone 6658.27
    n-decanol 368.49
    triethyl phosphate 424.73
    4-methyl-2-pentanol 492.87
    propionitrile 3463.87
    vinylene carbonate 2970.57
    1,1,2-trichlorotrifluoroethane 1623.48
    DMS 1198.68
    cumene 453.45
    2-octanol 444.02
    2-hexanone 1469.79
    octyl acetate 640.62
    limonene 842.36
    1,2-dimethoxyethane 3222.66
    ethyl orthosilicate 437.14
    tributyl phosphate 375.93
    diacetone alcohol 936.65
    N,N-dimethylaniline 716.87
    acrylonitrile 3571.24
    aniline 1826.71
    1,3-propanediol 1126.5
    bromobenzene 2979.85
    dibromomethane 6186.42
    1,1,2,2-tetrachloroethane 4443.47
    2-methyl-cyclohexyl acetate 758.38
    tetrabutyl urea 483.43
    diisobutyl methanol 410.95
    2-phenylethanol 1056.32
    styrene 1123.96
    dioctyl adipate 556.0
    dimethyl sulfate 1223.94
    ethyl butyrate 1254.45
    methyl lactate 629.05
    butyl lactate 462.53
    diethyl carbonate 724.77
    propanediol butyl ether 512.89
    triethyl orthoformate 735.0
    p-tert-butyltoluene 440.59
    methyl 4-tert-butylbenzoate 615.31
    morpholine 9107.38
    tert-butylamine 1159.7
    n-dodecanol 274.12
    dimethoxymethane 4949.71
    ethylene carbonate 2954.86
    cyrene 584.7
    2-ethoxyethyl acetate 1258.98
    2-ethylhexyl acetate 1154.87
    1,2,4-trichlorobenzene 1591.8
    4-methylpyridine 4649.4
    dibutyl ether 1217.55
    2,6-dimethyl-4-heptanol 410.95
    DEF 3132.05
    dimethyl isosorbide 1387.3
    tetrachloroethylene 3370.14
    eugenol 537.87
    triacetin 726.58
    span 80 536.85
    1,4-butanediol 366.13
    1,1-dichloroethane 5031.34
    2-methyl-1-pentanol 767.15
    methyl formate 3471.58
    2-methyl-1-butanol 1159.32
    n-decane 248.67
    butyronitrile 3799.48
    3,7-dimethyl-1-octanol 483.98
    1-chlorooctane 723.2
    1-chlorotetradecane 251.82
    n-nonane 280.45
    undecane 175.72
    tert-butylcyclohexane 297.48
    cyclooctane 685.07
    cyclopentanol 2731.99
    tetrahydropyran 10167.18
    tert-amyl methyl ether 1265.83
    2,5,8-trioxanonane 1019.34
    1-hexene 1621.64
    2-isopropoxyethanol 691.43
    2,2,2-trifluoroethanol 738.38
    methyl butyrate 1797.05

    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