2',3',4'-Trimethoxyacetophenone

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  • Identifiers

    CAS number
    13909-73-4

    Molecular formula
    C11H14O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 73.21%
    Vanilla 66.4%
    Floral 57.05%
    Spicy 54.48%
    Balsamic 50.96%
    Woody 50.12%
    Powdery 48.05%
    Phenolic 47.33%
    Creamy 39.73%
    Smoky 36.45%

     

    Flavor
    Woody 50.31%
    Sweet 41.93%
    Spice 38.15%
    Smoky 34.76%
    Phenolic 30.94%
    Powdery 30.8%
    Caramel 30.02%
    Vanilla 28.31%
    Creamy 26.94%
    Bitter 26.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.21 (neutral)

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point

    • 119.89 ˚C est.

  • Synonyms

    • 13909-73-4
    • 2',3',4'-Trimethoxyacetophenone
    • 1-(2,3,4-Trimethoxyphenyl)ethanone
    • Ethanone, 1-(2,3,4-trimethoxyphenyl)-
    • EINECS 237-678-4
    • F3JC7ZP11A
    • NSC 68811
    • Methyl 2,3,4-trimethoxyphenyl ketone
    • AI3-10562
    • NSC-68811
    • DTXSID7022257
    • TRI-O-METHYLGALLACETOPHENONE
    • ACETOPHENONE, 2',3',4'-TRIMETHOXY-
    • RefChem:439349
    • DTXCID902257
    • 237-678-4
    • InChI=1/C11H14O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6H,1-4H
    • 2,3,4-Trimethoxyacetophenone
    • 2-3-4-Trimethxoyacetophenone
    • MFCD00008726
    • 1-(2,3,4-Trimethoxyphenyl)ethan-1-one
    • 2',3',4' Trimethoxyacetophenone
    • 1-acetyl-2,3,4-trimethoxybenzene
    • UNII-F3JC7ZP11A
    • Ethanone,1-(2,3,4-trimethoxyphenyl)-
    • NSC68811
    • 1-[2,3,4-tris(methyloxy)phenyl]ethanone
    • orb1818978
    • SCHEMBL1421887
    • SCHEMBL4638173
    • SCHEMBL30069060
    • 2',3', 4'-trimethoxyacetophenone
    • 2',3',4'-trimethoxy acetophenone
    • BB_NC-02978
    • CS-M2300
    • BBL013475
    • SBB008574
    • STL166135
    • AKOS005364962
    • 1-(2,3,4-Trimethoxy-phenyl)-ethanone
    • 1-(2,3,4-Trimethoxyphenyl)ethanone #
    • 2 inverted exclamation mark ,3 inverted exclamation mark ,4 inverted exclamation mark -trimethoxyacetophenone
    • 2',3',4'-Trimethoxyacetophenone, 96%
    • AC-10541
    • DS-17908
    • SY051061
    • DS-019665
    • NS00024498
    • ST50308588
    • T1517
    • Q27277586
    • 13909-73-4

  • Applications

    2',3',4'-Trimethoxyacetophenone (CAS 13909-73-4) is primarily used as a chemical intermediate in the synthesis of aroma and fragrance materials, acting as a building block for methoxy-substituted aromatic compounds employed in perfumery. In cosmetics and personal care, it is evaluated as a precursor for fragrance ingredients and related formulations to shape scent profiles, depending on regulatory limits. In industrial manufacturing, it serves as an intermediate in organic synthesis to access more complex specialty chemicals and fragrance-related derivatives. In research and development settings, it may be used as a synthetic building block for exploring new fragrance architectures or as a starting material in pilot-scale synthesis, with actual use governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 121.49
    methanol 169.32
    isopropanol 87.07
    water 1.71
    ethyl acetate 455.98
    n-propanol 98.28
    acetone 610.27
    n-butanol 84.74
    acetonitrile 565.24
    DMF 856.19
    toluene 126.85
    isobutanol 73.55
    1,4-dioxane 781.8
    methyl acetate 561.2
    THF 730.7
    2-butanone 355.43
    n-pentanol 76.94
    sec-butanol 87.74
    n-hexane 17.13
    ethylene glycol 170.3
    NMP 576.58
    cyclohexane 58.06
    DMSO 711.95
    n-butyl acetate 211.88
    n-octanol 63.73
    chloroform 1069.93
    n-propyl acetate 255.32
    acetic acid 442.15
    dichloromethane 1296.23
    cyclohexanone 528.97
    propylene glycol 71.79
    isopropyl acetate 217.62
    DMAc 501.22
    2-ethoxyethanol 290.4
    isopentanol 74.65
    n-heptane 20.89
    ethyl formate 463.61
    1,2-dichloroethane 853.22
    n-hexanol 94.26
    2-methoxyethanol 509.45
    isobutyl acetate 129.88
    tetrachloromethane 245.2
    n-pentyl acetate 136.5
    transcutol 230.66
    n-heptanol 59.44
    ethylbenzene 97.54
    MIBK 134.18
    2-propoxyethanol 243.39
    tert-butanol 133.38
    MTBE 139.83
    2-butoxyethanol 131.91
    propionic acid 256.59
    o-xylene 113.53
    formic acid 208.39
    diethyl ether 225.03
    m-xylene 98.77
    p-xylene 141.96
    chlorobenzene 300.02
    dimethyl carbonate 329.33
    n-octane 12.52
    formamide 404.09
    cyclopentanone 703.3
    2-pentanone 272.0
    anisole 222.67
    cyclopentyl methyl ether 284.65
    gamma-butyrolactone 1083.84
    1-methoxy-2-propanol 242.43
    pyridine 493.55
    3-pentanone 266.09
    furfural 913.27
    n-dodecane 11.28
    diethylene glycol 326.59
    diisopropyl ether 64.63
    tert-amyl alcohol 109.05
    acetylacetone 461.38
    n-hexadecane 13.47
    acetophenone 255.29
    methyl propionate 422.97
    isopentyl acetate 162.26
    trichloroethylene 1467.25
    n-nonanol 58.76
    cyclohexanol 168.51
    benzyl alcohol 188.57
    2-ethylhexanol 77.28
    isooctanol 51.66
    dipropyl ether 102.69
    1,2-dichlorobenzene 332.18
    ethyl lactate 152.36
    propylene carbonate 550.47
    n-methylformamide 553.11
    2-pentanol 64.66
    n-pentane 15.63
    1-propoxy-2-propanol 135.92
    1-methoxy-2-propyl acetate 218.65
    2-(2-methoxypropoxy) propanol 107.2
    mesitylene 76.3
    ε-caprolactone 465.45
    p-cymene 68.61
    epichlorohydrin 982.85
    1,1,1-trichloroethane 707.24
    2-aminoethanol 126.93
    morpholine-4-carbaldehyde 669.02
    sulfolane 969.42
    2,2,4-trimethylpentane 12.48
    2-methyltetrahydrofuran 394.72
    n-hexyl acetate 162.38
    isooctane 8.92
    2-(2-butoxyethoxy)ethanol 130.76
    sec-butyl acetate 139.36
    tert-butyl acetate 193.6
    decalin 35.2
    glycerin 181.72
    diglyme 348.96
    acrylic acid 311.84
    isopropyl myristate 69.05
    n-butyric acid 284.84
    acetyl acetate 389.51
    di(2-ethylhexyl) phthalate 70.41
    ethyl propionate 244.16
    nitromethane 1181.37
    1,2-diethoxyethane 144.1
    benzonitrile 301.89
    trioctyl phosphate 58.45
    1-bromopropane 225.46
    gamma-valerolactone 807.13
    n-decanol 45.74
    triethyl phosphate 128.81
    4-methyl-2-pentanol 42.93
    propionitrile 273.33
    vinylene carbonate 594.23
    1,1,2-trichlorotrifluoroethane 700.62
    DMS 254.95
    cumene 71.15
    2-octanol 45.16
    2-hexanone 183.5
    octyl acetate 90.49
    limonene 90.7
    1,2-dimethoxyethane 570.2
    ethyl orthosilicate 108.18
    tributyl phosphate 72.57
    diacetone alcohol 195.42
    N,N-dimethylaniline 141.89
    acrylonitrile 454.71
    aniline 189.79
    1,3-propanediol 174.41
    bromobenzene 318.0
    dibromomethane 704.13
    1,1,2,2-tetrachloroethane 1022.69
    2-methyl-cyclohexyl acetate 142.53
    tetrabutyl urea 93.68
    diisobutyl methanol 49.99
    2-phenylethanol 162.15
    styrene 122.22
    dioctyl adipate 110.0
    dimethyl sulfate 500.0
    ethyl butyrate 180.2
    methyl lactate 214.5
    butyl lactate 92.2
    diethyl carbonate 168.91
    propanediol butyl ether 96.3
    triethyl orthoformate 132.68
    p-tert-butyltoluene 65.75
    methyl 4-tert-butylbenzoate 161.56
    morpholine 589.94
    tert-butylamine 75.96
    n-dodecanol 36.81
    dimethoxymethane 583.96
    ethylene carbonate 506.51
    cyrene 192.8
    2-ethoxyethyl acetate 190.41
    2-ethylhexyl acetate 140.38
    1,2,4-trichlorobenzene 370.54
    4-methylpyridine 371.77
    dibutyl ether 80.15
    2,6-dimethyl-4-heptanol 49.99
    DEF 370.8
    dimethyl isosorbide 240.78
    tetrachloroethylene 806.01
    eugenol 146.34
    triacetin 184.9
    span 80 88.39
    1,4-butanediol 95.48
    1,1-dichloroethane 547.21
    2-methyl-1-pentanol 69.97
    methyl formate 721.58
    2-methyl-1-butanol 73.66
    n-decane 17.99
    butyronitrile 241.21
    3,7-dimethyl-1-octanol 56.56
    1-chlorooctane 67.44
    1-chlorotetradecane 30.13
    n-nonane 17.31
    undecane 13.94
    tert-butylcyclohexane 25.17
    cyclooctane 22.12
    cyclopentanol 202.09
    tetrahydropyran 393.27
    tert-amyl methyl ether 119.26
    2,5,8-trioxanonane 210.16
    1-hexene 52.41
    2-isopropoxyethanol 169.82
    2,2,2-trifluoroethanol 289.69
    methyl butyrate 321.57

    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