2-Methoxy-1,3,4-trimethylbenzene

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  • Identifiers

    CAS number
    21573-36-4

    Molecular formula
    C10H14O

    SMILES
    CC1=C(C(=C(C=C1)C)OC)C

  • Odor profile

    Spicy 65.44%
    Phenolic 64.91%
    Herbal 53.97%
    Earthy 49.17%
    Leathery 48.78%
    Smoky 48.42%
    Woody 48.17%
    Medicinal 45.28%
    Musty 40.61%
    Burnt 36.78%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point est.
    75.37 ˚C

  • Synonyms

    • 2-Methoxy-1,3,4-trimethylbenzene
    • 21573-36-4
    • Benzene, 2-methoxy-1,3,4-trimethyl-
    • 2,3,6-Trimethylanisole
    • MFCD28362204
    • 1-methoxy-2,3,6-trimethylbenzene
    • Anisole, 2,3,6-trimethyl-
    • SCHEMBL146614
    • DTXSID90343695
    • 2-Methoxy-1,3,4-trimethylbenzene #
    • AKOS037645709
    • AS-62439
    • SY320187
    • D95767

  • Applications

    2-Methoxy-1,3,4-trimethylbenzene (CAS 21573-36-4) is used primarily as a fine-chemical intermediate in advanced organic synthesis, where its electron-rich aromatic ring and methoxy group enable electrophilic substitutions (e.g., acylation, sulfonation, halogenation) as well as transformations such as O-demethylation to access phenolic derivatives or selective oxidations; this makes it a versatile building block for pharmaceuticals, agrochemicals, dyes, and polymer additives; it is also employed as a substrate/probe in studies of oxidative catalysis and C–H functionalization, as a laboratory reference compound for substituted anisole systems, occasionally as a high-boiling specialty solvent or diluent when chemical stability is required, and as a precursor toward functional materials (e.g., hydrophobic motifs, UV-absorbing units, or fragrance intermediates) in R&D.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2515.54
    methanol 2713.15
    isopropanol 1992.63
    water 12.64
    ethyl acetate 4176.21
    n-propanol 2412.68
    acetone 3536.49
    n-butanol 2334.98
    acetonitrile 5123.21
    DMF 2693.17
    toluene 2116.58
    isobutanol 1834.84
    1,4-dioxane 9810.8
    methyl acetate 3528.89
    THF 6978.71
    2-butanone 2995.5
    n-pentanol 1685.18
    sec-butanol 1850.22
    n-hexane 1556.54
    ethylene glycol 431.79
    NMP 2117.14
    cyclohexane 2200.2
    DMSO 2152.28
    n-butyl acetate 2954.75
    n-octanol 1147.61
    chloroform 10393.4
    n-propyl acetate 2677.49
    acetic acid 1919.26
    dichloromethane 10437.8
    cyclohexanone 4496.84
    propylene glycol 418.29
    isopropyl acetate 2260.51
    DMAc 1338.3
    2-ethoxyethanol 2529.86
    isopentanol 1818.49
    n-heptane 934.31
    ethyl formate 2367.97
    1,2-dichloroethane 6950.52
    n-hexanol 2052.02
    2-methoxyethanol 3097.04
    isobutyl acetate 1568.81
    tetrachloromethane 3698.96
    n-pentyl acetate 1758.42
    transcutol 3363.94
    n-heptanol 1067.19
    ethylbenzene 1418.74
    MIBK 1712.25
    2-propoxyethanol 2728.66
    tert-butanol 2619.34
    MTBE 3768.94
    2-butoxyethanol 1514.44
    propionic acid 1813.85
    o-xylene 1231.99
    formic acid 682.28
    diethyl ether 6948.08
    m-xylene 1504.34
    p-xylene 1640.91
    chlorobenzene 2741.89
    dimethyl carbonate 1224.44
    n-octane 497.23
    formamide 1160.51
    cyclopentanone 4272.62
    2-pentanone 2821.13
    anisole 2479.92
    cyclopentyl methyl ether 4124.29
    gamma-butyrolactone 5020.88
    1-methoxy-2-propanol 2043.19
    pyridine 3874.63
    3-pentanone 2545.68
    furfural 3275.94
    n-dodecane 254.17
    diethylene glycol 1420.47
    diisopropyl ether 2009.76
    tert-amyl alcohol 2116.73
    acetylacetone 2277.12
    n-hexadecane 300.04
    acetophenone 1514.74
    methyl propionate 2720.05
    isopentyl acetate 2098.02
    trichloroethylene 9267.22
    n-nonanol 976.72
    cyclohexanol 2474.5
    benzyl alcohol 1306.12
    2-ethylhexanol 1382.92
    isooctanol 887.65
    dipropyl ether 2732.46
    1,2-dichlorobenzene 2426.09
    ethyl lactate 763.76
    propylene carbonate 2549.0
    n-methylformamide 2091.79
    2-pentanol 1815.29
    n-pentane 1227.96
    1-propoxy-2-propanol 1701.25
    1-methoxy-2-propyl acetate 1691.42
    2-(2-methoxypropoxy) propanol 842.13
    mesitylene 1105.09
    ε-caprolactone 3748.14
    p-cymene 784.87
    epichlorohydrin 6528.95
    1,1,1-trichloroethane 6817.82
    2-aminoethanol 834.26
    morpholine-4-carbaldehyde 3362.88
    sulfolane 3796.79
    2,2,4-trimethylpentane 503.12
    2-methyltetrahydrofuran 5694.0
    n-hexyl acetate 2219.69
    isooctane 473.1
    2-(2-butoxyethoxy)ethanol 1345.35
    sec-butyl acetate 1602.25
    tert-butyl acetate 2344.24
    decalin 794.64
    glycerin 564.91
    diglyme 3160.58
    acrylic acid 1331.31
    isopropyl myristate 798.27
    n-butyric acid 2363.03
    acetyl acetate 1886.75
    di(2-ethylhexyl) phthalate 464.29
    ethyl propionate 2323.18
    nitromethane 4194.72
    1,2-diethoxyethane 3189.75
    benzonitrile 1961.9
    trioctyl phosphate 459.28
    1-bromopropane 4181.81
    gamma-valerolactone 4881.32
    n-decanol 697.73
    triethyl phosphate 769.78
    4-methyl-2-pentanol 951.78
    propionitrile 3672.88
    vinylene carbonate 2621.97
    1,1,2-trichlorotrifluoroethane 2455.38
    DMS 1392.88
    cumene 961.14
    2-octanol 907.68
    2-hexanone 2381.11
    octyl acetate 984.67
    limonene 1157.73
    1,2-dimethoxyethane 5234.39
    ethyl orthosilicate 773.28
    tributyl phosphate 567.98
    diacetone alcohol 1440.16
    N,N-dimethylaniline 1350.58
    acrylonitrile 3442.64
    aniline 1868.54
    1,3-propanediol 1534.2
    bromobenzene 3090.28
    dibromomethane 7272.97
    1,1,2,2-tetrachloroethane 6543.47
    2-methyl-cyclohexyl acetate 1149.73
    tetrabutyl urea 646.23
    diisobutyl methanol 769.74
    2-phenylethanol 1322.78
    styrene 1748.71
    dioctyl adipate 866.36
    dimethyl sulfate 1320.1
    ethyl butyrate 1943.17
    methyl lactate 753.45
    butyl lactate 825.36
    diethyl carbonate 1265.99
    propanediol butyl ether 912.06
    triethyl orthoformate 1286.05
    p-tert-butyltoluene 788.15
    methyl 4-tert-butylbenzoate 1113.03
    morpholine 7214.86
    tert-butylamine 2074.0
    n-dodecanol 525.78
    dimethoxymethane 3294.31
    ethylene carbonate 2635.15
    cyrene 834.45
    2-ethoxyethyl acetate 1911.37
    2-ethylhexyl acetate 1860.65
    1,2,4-trichlorobenzene 2435.86
    4-methylpyridine 3645.69
    dibutyl ether 1989.86
    2,6-dimethyl-4-heptanol 769.74
    DEF 2914.93
    dimethyl isosorbide 1609.89
    tetrachloroethylene 5476.17
    eugenol 956.29
    triacetin 1126.36
    span 80 781.08
    1,4-butanediol 680.87
    1,1-dichloroethane 6322.98
    2-methyl-1-pentanol 1393.84
    methyl formate 2104.25
    2-methyl-1-butanol 1817.84
    n-decane 491.13
    butyronitrile 3545.39
    3,7-dimethyl-1-octanol 908.58
    1-chlorooctane 1343.47
    1-chlorotetradecane 494.53
    n-nonane 561.52
    undecane 334.0
    tert-butylcyclohexane 751.78
    cyclooctane 971.85
    cyclopentanol 2258.87
    tetrahydropyran 7621.8
    tert-amyl methyl ether 2643.1
    2,5,8-trioxanonane 1626.98
    1-hexene 2573.43
    2-isopropoxyethanol 1812.85
    2,2,2-trifluoroethanol 916.43
    methyl butyrate 2682.58

    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

Botanical

Name CAS Botanical Proportion
Ginger (China) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.07%
Ginger (China) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.14%
Ginger (Nigeria) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.62%