1-(2,3,4-Trimethylphenyl)ethanone

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  • Identifiers

    CAS number
    1467-36-3

    Molecular formula
    C11H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 65.77%
    Sweet 61.63%
    Powdery 43.71%
    Phenolic 39.16%
    Woody 39.16%
    Herbal 38.33%
    Hay 37.72%
    Nutty 35.14%
    Musty 35.11%
    Dry 33.8%

     

    Flavor
    Woody 46.86%
    Sweet 45.32%
    Phenolic 36.89%
    Floral 36.62%
    Powdery 31.41%
    Musty 29.69%
    Tobacco 29.3%
    Nutty 27.95%
    Earthy 27.18%
    Dry 27.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.09 (weak base)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 103.13 ˚C est.

  • Synonyms

    • 1-(2,3,4-Trimethylphenyl)ethanone
    • 1467-36-3
    • 2,3,4-Trimethylacetophenone
    • 1-(2,3,4-trimethylphenyl)ethan-1-one
    • Ethanone, 1-(2,3,4-trimethylphenyl)-
    • SCHEMBL7177477
    • DTXSID80343528
    • 2',3',4'-Trimethylacetophenone
    • RVPPPQUJELLLDP-UHFFFAOYSA-N
    • 1-(2,3,4-Trimethylphenyl)ethanone #
    • 1467-36-3

  • Applications

    1-(2,3,4-Trimethylphenyl)ethanone (CAS 1467-36-3) is primarily used as an aromatic ketone in fragrance chemistry, serving as an odorant or fragrance ingredient for perfumery. It is commonly evaluated for cosmetic and personal care applications as a fragrance component, and for household products such as air fresheners and cleaners where it contributes a distinct aromatic note. In industrial manufacturing, the compound is used as an intermediate in organic synthesis, providing a building block for the preparation of more complex aroma compounds, pharmaceutical intermediates, and other specialty chemicals. It may also act as a starting material in the development of pharmaceutical syntheses or as a feedstock for coatings and inks where aromatic functionality is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 670.27
    methanol 739.69
    isopropanol 512.31
    water 4.14
    ethyl acetate 991.05
    n-propanol 653.13
    acetone 1133.62
    n-butanol 521.37
    acetonitrile 1767.49
    DMF 1621.44
    toluene 882.9
    isobutanol 421.88
    1,4-dioxane 3154.83
    methyl acetate 1083.07
    THF 2807.21
    2-butanone 1057.38
    n-pentanol 355.91
    sec-butanol 464.75
    n-hexane 200.8
    ethylene glycol 109.24
    NMP 1200.65
    cyclohexane 394.58
    DMSO 757.26
    n-butyl acetate 648.62
    n-octanol 267.37
    chloroform 2971.4
    n-propyl acetate 492.02
    acetic acid 380.77
    dichloromethane 3452.32
    cyclohexanone 1766.41
    propylene glycol 111.8
    isopropyl acetate 444.05
    DMAc 774.57
    2-ethoxyethanol 448.78
    isopentanol 352.41
    n-heptane 169.17
    ethyl formate 729.13
    1,2-dichloroethane 2122.27
    n-hexanol 580.38
    2-methoxyethanol 751.75
    isobutyl acetate 276.72
    tetrachloromethane 702.44
    n-pentyl acetate 382.94
    transcutol 827.68
    n-heptanol 247.24
    ethylbenzene 472.54
    MIBK 379.72
    2-propoxyethanol 783.47
    tert-butanol 583.81
    MTBE 711.11
    2-butoxyethanol 346.66
    propionic acid 458.21
    o-xylene 472.58
    formic acid 150.77
    diethyl ether 1353.97
    m-xylene 497.02
    p-xylene 555.17
    chlorobenzene 935.94
    dimethyl carbonate 359.56
    n-octane 80.55
    formamide 398.27
    cyclopentanone 1917.83
    2-pentanone 836.84
    anisole 792.0
    cyclopentyl methyl ether 1186.55
    gamma-butyrolactone 1884.24
    1-methoxy-2-propanol 519.3
    pyridine 1607.17
    3-pentanone 773.25
    furfural 1201.89
    n-dodecane 51.22
    diethylene glycol 375.06
    diisopropyl ether 282.72
    tert-amyl alcohol 460.62
    acetylacetone 686.46
    n-hexadecane 61.79
    acetophenone 515.15
    methyl propionate 813.09
    isopentyl acetate 484.73
    trichloroethylene 2679.05
    n-nonanol 237.25
    cyclohexanol 627.96
    benzyl alcohol 433.98
    2-ethylhexanol 330.62
    isooctanol 185.04
    dipropyl ether 601.81
    1,2-dichlorobenzene 716.59
    ethyl lactate 168.08
    propylene carbonate 769.4
    n-methylformamide 960.05
    2-pentanol 333.41
    n-pentane 184.98
    1-propoxy-2-propanol 456.06
    1-methoxy-2-propyl acetate 495.24
    2-(2-methoxypropoxy) propanol 263.45
    mesitylene 291.08
    ε-caprolactone 1149.41
    p-cymene 232.34
    epichlorohydrin 2288.19
    1,1,1-trichloroethane 1678.11
    2-aminoethanol 231.11
    morpholine-4-carbaldehyde 1367.55
    sulfolane 1263.57
    2,2,4-trimethylpentane 64.93
    2-methyltetrahydrofuran 1989.53
    n-hexyl acetate 546.47
    isooctane 49.73
    2-(2-butoxyethoxy)ethanol 387.7
    sec-butyl acetate 302.13
    tert-butyl acetate 414.68
    decalin 141.65
    glycerin 129.48
    diglyme 816.54
    acrylic acid 329.31
    isopropyl myristate 210.18
    n-butyric acid 534.8
    acetyl acetate 459.87
    di(2-ethylhexyl) phthalate 155.05
    ethyl propionate 508.26
    nitromethane 1076.48
    1,2-diethoxyethane 653.37
    benzonitrile 687.15
    trioctyl phosphate 124.8
    1-bromopropane 1233.81
    gamma-valerolactone 2031.04
    n-decanol 175.39
    triethyl phosphate 211.96
    4-methyl-2-pentanol 177.13
    propionitrile 1272.03
    vinylene carbonate 834.59
    1,1,2-trichlorotrifluoroethane 571.01
    DMS 428.2
    cumene 271.49
    2-octanol 188.12
    2-hexanone 535.91
    octyl acetate 273.06
    limonene 341.38
    1,2-dimethoxyethane 1063.63
    ethyl orthosilicate 203.26
    tributyl phosphate 150.34
    diacetone alcohol 366.12
    N,N-dimethylaniline 450.42
    acrylonitrile 1253.38
    aniline 677.84
    1,3-propanediol 339.14
    bromobenzene 1005.06
    dibromomethane 2180.41
    1,1,2,2-tetrachloroethane 1733.07
    2-methyl-cyclohexyl acetate 341.21
    tetrabutyl urea 196.17
    diisobutyl methanol 166.56
    2-phenylethanol 492.18
    styrene 555.65
    dioctyl adipate 252.21
    dimethyl sulfate 403.13
    ethyl butyrate 475.17
    methyl lactate 214.16
    butyl lactate 193.65
    diethyl carbonate 323.01
    propanediol butyl ether 219.9
    triethyl orthoformate 306.33
    p-tert-butyltoluene 229.3
    methyl 4-tert-butylbenzoate 347.28
    morpholine 2718.44
    tert-butylamine 448.61
    n-dodecanol 134.66
    dimethoxymethane 1229.79
    ethylene carbonate 743.05
    cyrene 299.35
    2-ethoxyethyl acetate 463.79
    2-ethylhexyl acetate 417.73
    1,2,4-trichlorobenzene 729.82
    4-methylpyridine 1469.35
    dibutyl ether 426.33
    2,6-dimethyl-4-heptanol 166.56
    DEF 860.58
    dimethyl isosorbide 612.01
    tetrachloroethylene 1264.56
    eugenol 323.12
    triacetin 341.67
    span 80 246.46
    1,4-butanediol 135.25
    1,1-dichloroethane 1835.24
    2-methyl-1-pentanol 284.62
    methyl formate 781.85
    2-methyl-1-butanol 360.35
    n-decane 91.29
    butyronitrile 1024.58
    3,7-dimethyl-1-octanol 210.56
    1-chlorooctane 286.35
    1-chlorotetradecane 110.32
    n-nonane 94.03
    undecane 66.57
    tert-butylcyclohexane 118.48
    cyclooctane 126.8
    cyclopentanol 743.1
    tetrahydropyran 2534.35
    tert-amyl methyl ether 490.9
    2,5,8-trioxanonane 507.9
    1-hexene 519.29
    2-isopropoxyethanol 322.9
    2,2,2-trifluoroethanol 200.66
    methyl butyrate 595.92

    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