2,4,6-Trimethoxytoluene

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  • Identifiers

    CAS number
    14107-97-2

    Molecular formula
    C10H14O3

    SMILES
    CC1=C(C=C(C=C1OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 58.31%
    Sweet 51.44%
    Phenolic 50.88%
    Earthy 44.55%
    Fruity 43.84%
    Woody 36.47%
    Smoky 34.99%
    Vanilla 34.61%
    Nutty 32.24%
    Herbal 30.86%

     

    Flavor
    Earthy 33.37%
    Fruity 31.95%
    Musty 30.99%
    Bitter 29.19%
    Spice 23.6%
    Green 23.4%
    Phenolic 23.16%
    Eugenol 22.0%
    Parsley 21.66%
    Green pepper 21.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.32 (neutral)

    Molecular weight
    182.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 97.33 ˚C est.

  • Synonyms

    • 2,4,6-Trimethoxytoluene
    • 14107-97-2
    • 1,3,5-Trimethoxy-2-methylbenzene
    • Benzene, 1,3,5-trimethoxy-2-methyl-
    • EINECS 237-962-8
    • DTXSID7065706
    • RefChem:442948
    • DTXCID8034580
    • 237-962-8
    • MFCD00008375
    • Phloroglucinol Impurity R
    • SCHEMBL34336
    • (2,4,6-Trimethoxy)toluene
    • SCHEMBL862161
    • Toluene, 2,4,6-trimethoxy-
    • SCHEMBL2091704
    • SCHEMBL2302753
    • 1,3,5-trimethoxy-2-methyl-benzene
    • 1,3,5-Trimethoxy-2-methylbenzene #
    • AKOS022180446
    • FT70461
    • AS-62446
    • DB-042545
    • CS-0358017
    • NS00024576
    • ST50407855
    • G77314
    • InChI=1/C10H14O3/c1-7-9(12-3)5-8(11-2)6-10(7)13-4/h5-6H,1-4H
    • 14107-97-2

  • Applications

    2,4,6-Trimethoxytoluene (CAS number: 14107-97-2) is primarily used as an aroma-chemical intermediate in fragrance and flavor chemistry, serving as a building block for methoxy-substituted aromatic compounds used to craft notes in perfumes and flavor formulations. It is also a starting material for specialty intermediates in polymers and coatings, where methoxy-toluene scaffolds support odorant additives and functional polymers. In cosmetics and personal care, it may be used as a fragrance ingredient or fixative under regulatory controls. In household products, it can function as a fragrance component in cleaners, detergents, and air fresheners, subject to formulation limits. As an industrial intermediate, it is evaluated for use in fragrance- and polymer-related applications with appropriate handling and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 293.29
    methanol 341.07
    isopropanol 201.87
    water 2.81
    ethyl acetate 298.96
    n-propanol 239.55
    acetone 297.65
    n-butanol 185.05
    acetonitrile 312.67
    DMF 545.65
    toluene 205.3
    isobutanol 158.14
    1,4-dioxane 880.89
    methyl acetate 376.82
    THF 647.82
    2-butanone 249.74
    n-pentanol 143.26
    sec-butanol 167.97
    n-hexane 20.2
    ethylene glycol 217.51
    NMP 332.98
    cyclohexane 94.28
    DMSO 558.51
    n-butyl acetate 123.13
    n-octanol 75.07
    chloroform 1319.99
    n-propyl acetate 145.64
    acetic acid 328.47
    dichloromethane 1145.62
    cyclohexanone 362.18
    propylene glycol 159.23
    isopropyl acetate 121.09
    DMAc 404.23
    2-ethoxyethanol 340.57
    isopentanol 123.22
    n-heptane 30.83
    ethyl formate 346.75
    1,2-dichloroethane 565.04
    n-hexanol 155.33
    2-methoxyethanol 652.86
    isobutyl acetate 84.57
    tetrachloromethane 295.54
    n-pentyl acetate 83.99
    transcutol 281.38
    n-heptanol 76.46
    ethylbenzene 102.69
    MIBK 80.6
    2-propoxyethanol 311.94
    tert-butanol 241.54
    MTBE 153.89
    2-butoxyethanol 143.92
    propionic acid 237.14
    o-xylene 132.58
    formic acid 170.92
    diethyl ether 204.47
    m-xylene 106.79
    p-xylene 141.75
    chlorobenzene 269.95
    dimethyl carbonate 158.96
    n-octane 13.93
    formamide 274.04
    cyclopentanone 370.42
    2-pentanone 158.43
    anisole 202.53
    cyclopentyl methyl ether 225.46
    gamma-butyrolactone 520.1
    1-methoxy-2-propanol 314.44
    pyridine 547.65
    3-pentanone 154.02
    furfural 557.37
    n-dodecane 13.29
    diethylene glycol 335.58
    diisopropyl ether 45.21
    tert-amyl alcohol 164.02
    acetylacetone 208.31
    n-hexadecane 15.93
    acetophenone 173.28
    methyl propionate 270.53
    isopentyl acetate 95.97
    trichloroethylene 930.4
    n-nonanol 70.65
    cyclohexanol 247.52
    benzyl alcohol 211.49
    2-ethylhexanol 94.09
    isooctanol 59.19
    dipropyl ether 103.31
    1,2-dichlorobenzene 241.21
    ethyl lactate 98.23
    propylene carbonate 300.31
    n-methylformamide 363.59
    2-pentanol 99.21
    n-pentane 23.28
    1-propoxy-2-propanol 158.26
    1-methoxy-2-propyl acetate 142.54
    2-(2-methoxypropoxy) propanol 103.37
    mesitylene 62.92
    ε-caprolactone 325.25
    p-cymene 61.82
    epichlorohydrin 650.34
    1,1,1-trichloroethane 540.47
    2-aminoethanol 234.19
    morpholine-4-carbaldehyde 501.79
    sulfolane 437.63
    2,2,4-trimethylpentane 15.57
    2-methyltetrahydrofuran 399.1
    n-hexyl acetate 113.04
    isooctane 9.71
    2-(2-butoxyethoxy)ethanol 150.78
    sec-butyl acetate 79.64
    tert-butyl acetate 112.49
    decalin 35.05
    glycerin 241.18
    diglyme 311.81
    acrylic acid 237.0
    isopropyl myristate 50.63
    n-butyric acid 271.17
    acetyl acetate 218.04
    di(2-ethylhexyl) phthalate 59.27
    ethyl propionate 140.61
    nitromethane 533.1
    1,2-diethoxyethane 137.68
    benzonitrile 245.3
    trioctyl phosphate 45.97
    1-bromopropane 269.12
    gamma-valerolactone 526.28
    n-decanol 55.35
    triethyl phosphate 86.29
    4-methyl-2-pentanol 49.66
    propionitrile 239.36
    vinylene carbonate 369.17
    1,1,2-trichlorotrifluoroethane 575.79
    DMS 128.05
    cumene 65.0
    2-octanol 51.53
    2-hexanone 119.6
    octyl acetate 71.0
    limonene 83.62
    1,2-dimethoxyethane 484.89
    ethyl orthosilicate 81.78
    tributyl phosphate 51.7
    diacetone alcohol 145.37
    N,N-dimethylaniline 131.3
    acrylonitrile 320.37
    aniline 257.78
    1,3-propanediol 328.46
    bromobenzene 299.23
    dibromomethane 699.83
    1,1,2,2-tetrachloroethane 775.2
    2-methyl-cyclohexyl acetate 100.76
    tetrabutyl urea 67.45
    diisobutyl methanol 51.47
    2-phenylethanol 176.76
    styrene 134.64
    dioctyl adipate 80.82
    dimethyl sulfate 225.9
    ethyl butyrate 123.88
    methyl lactate 151.15
    butyl lactate 73.38
    diethyl carbonate 117.18
    propanediol butyl ether 108.82
    triethyl orthoformate 97.96
    p-tert-butyltoluene 62.48
    methyl 4-tert-butylbenzoate 122.88
    morpholine 792.22
    tert-butylamine 134.13
    n-dodecanol 45.54
    dimethoxymethane 429.04
    ethylene carbonate 309.54
    cyrene 153.54
    2-ethoxyethyl acetate 126.38
    2-ethylhexyl acetate 82.4
    1,2,4-trichlorobenzene 280.96
    4-methylpyridine 406.53
    dibutyl ether 74.97
    2,6-dimethyl-4-heptanol 51.47
    DEF 242.59
    dimethyl isosorbide 190.63
    tetrachloroethylene 572.95
    eugenol 125.36
    triacetin 115.16
    span 80 101.31
    1,4-butanediol 136.76
    1,1-dichloroethane 478.3
    2-methyl-1-pentanol 104.58
    methyl formate 382.64
    2-methyl-1-butanol 127.62
    n-decane 20.26
    butyronitrile 224.85
    3,7-dimethyl-1-octanol 63.38
    1-chlorooctane 62.49
    1-chlorotetradecane 31.88
    n-nonane 18.9
    undecane 15.8
    tert-butylcyclohexane 27.87
    cyclooctane 27.33
    cyclopentanol 260.98
    tetrahydropyran 497.54
    tert-amyl methyl ether 118.51
    2,5,8-trioxanonane 216.6
    1-hexene 61.86
    2-isopropoxyethanol 178.85
    2,2,2-trifluoroethanol 176.48
    methyl butyrate 192.37

    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