2,3,5-Trimethylanisole

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  • Identifiers

    CAS number
    20469-61-8

    Molecular formula
    C10H14O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 60.55%
    Woody 58.8%
    Phenolic 58.18%
    Leathery 48.7%
    Smoky 42.9%
    Earthy 42.43%
    Herbal 39.76%
    Medicinal 37.79%
    Dry 35.32%
    Burnt 33.81%

     

    Flavor
    Phenolic 43.46%
    Woody 34.42%
    Smoky 33.11%
    Musty 32.68%
    Spice 31.12%
    Medicinal 30.83%
    Camphor 30.62%
    Spicy 29.22%
    Leather 29.06%
    Smoke 28.87%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.67 (neutral)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point

    • 78.79 ˚C est.

  • Synonyms

    • 2,3,5-Trimethylanisole
    • 20469-61-8
    • 1-Methoxy-2,3,5-trimethylbenzene
    • Benzene, 1-methoxy-2,3,5-trimethyl-
    • O4G1J78BTB
    • EINECS 243-843-1
    • DTXSID90174441
    • RefChem:441840
    • DTXCID0096932
    • 243-843-1
    • MFCD00142783
    • Anisole, 2,3,5-trimethyl
    • 2,3,5-Trimethylanizole
    • 2,3,5-Trimethyl anisole
    • UNII-O4G1J78BTB
    • SCHEMBL203782
    • SCHEMBL415962
    • orb3023276
    • SCHEMBL7921242
    • SCHEMBL7921243
    • SCHEMBL29556815
    • 1-Methoxy-2,3,5-trimethylbenzol
    • 3-methoxy-1,2,5-trimethylbenzene
    • AKOS015890127
    • DS-16229
    • SY057752
    • DB-045235
    • CS-0153350
    • NS00021831
    • ST50824238
    • T2456
    • D70095
    • F214956
    • 20469-61-8

  • Applications

    2,3,5-Trimethylanisole (CAS 20469-61-8) is primarily used as a fragrance ingredient and odorant in perfumery, where it may also function as a fragrance fixative in certain formulations. In cosmetics and personal care, it serves as a fragrance component; in household products such as cleaners and air fresheners, it contributes scent; it is also used as an industrial manufacturing intermediate for the synthesis of other aroma compounds, and may be added as a fragrance additive in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2727.4
    methanol 2149.98
    isopropanol 2558.66
    water 6.29
    ethyl acetate 4354.87
    n-propanol 3078.27
    acetone 4108.38
    n-butanol 2695.37
    acetonitrile 6083.99
    DMF 3164.16
    toluene 2340.46
    isobutanol 2373.96
    1,4-dioxane 9991.44
    methyl acetate 4060.94
    THF 8040.32
    2-butanone 3412.14
    n-pentanol 1865.71
    sec-butanol 2770.51
    n-hexane 2137.62
    ethylene glycol 451.16
    NMP 2489.99
    cyclohexane 2843.18
    DMSO 2366.46
    n-butyl acetate 2675.47
    n-octanol 1355.26
    chloroform 9771.71
    n-propyl acetate 2386.13
    acetic acid 1903.74
    dichloromethane 9091.81
    cyclohexanone 5005.63
    propylene glycol 594.0
    isopropyl acetate 2344.74
    DMAc 1604.01
    2-ethoxyethanol 2297.68
    isopentanol 1984.25
    n-heptane 1048.02
    ethyl formate 2327.51
    1,2-dichloroethane 6310.96
    n-hexanol 2587.56
    2-methoxyethanol 3040.26
    isobutyl acetate 1444.17
    tetrachloromethane 2940.66
    n-pentyl acetate 1568.34
    transcutol 2989.93
    n-heptanol 1130.26
    ethylbenzene 1479.48
    MIBK 1848.97
    2-propoxyethanol 2861.61
    tert-butanol 3284.71
    MTBE 4677.85
    2-butoxyethanol 1305.24
    propionic acid 2118.26
    o-xylene 1352.32
    formic acid 459.6
    diethyl ether 7179.55
    m-xylene 1603.26
    p-xylene 1681.89
    chlorobenzene 2643.01
    dimethyl carbonate 1180.9
    n-octane 542.52
    formamide 807.03
    cyclopentanone 4869.9
    2-pentanone 3214.21
    anisole 2299.04
    cyclopentyl methyl ether 5101.4
    gamma-butyrolactone 5254.03
    1-methoxy-2-propanol 2395.32
    pyridine 3752.8
    3-pentanone 2820.01
    furfural 2938.2
    n-dodecane 304.38
    diethylene glycol 1495.07
    diisopropyl ether 2088.03
    tert-amyl alcohol 2720.31
    acetylacetone 2430.3
    n-hexadecane 356.75
    acetophenone 1423.79
    methyl propionate 2969.68
    isopentyl acetate 1972.13
    trichloroethylene 8225.25
    n-nonanol 1074.71
    cyclohexanol 3306.77
    benzyl alcohol 1274.36
    2-ethylhexanol 1490.02
    isooctanol 880.76
    dipropyl ether 2838.34
    1,2-dichlorobenzene 2086.18
    ethyl lactate 750.35
    propylene carbonate 2620.35
    n-methylformamide 2062.17
    2-pentanol 2359.45
    n-pentane 1594.28
    1-propoxy-2-propanol 1876.29
    1-methoxy-2-propyl acetate 1712.6
    2-(2-methoxypropoxy) propanol 843.83
    mesitylene 1114.9
    ε-caprolactone 4066.36
    p-cymene 717.03
    epichlorohydrin 6508.12
    1,1,1-trichloroethane 6564.64
    2-aminoethanol 863.6
    morpholine-4-carbaldehyde 3278.47
    sulfolane 4042.79
    2,2,4-trimethylpentane 579.6
    2-methyltetrahydrofuran 7073.44
    n-hexyl acetate 2312.37
    isooctane 507.36
    2-(2-butoxyethoxy)ethanol 1299.56
    sec-butyl acetate 1580.05
    tert-butyl acetate 2337.18
    decalin 903.22
    glycerin 635.51
    diglyme 2729.85
    acrylic acid 1400.9
    isopropyl myristate 808.91
    n-butyric acid 2629.22
    acetyl acetate 1852.39
    di(2-ethylhexyl) phthalate 442.87
    ethyl propionate 2182.74
    nitromethane 3830.81
    1,2-diethoxyethane 2800.14
    benzonitrile 1781.83
    trioctyl phosphate 432.07
    1-bromopropane 4441.42
    gamma-valerolactone 4876.52
    n-decanol 781.63
    triethyl phosphate 651.13
    4-methyl-2-pentanol 1080.15
    propionitrile 4150.26
    vinylene carbonate 2351.33
    1,1,2-trichlorotrifluoroethane 2321.25
    DMS 1330.32
    cumene 944.46
    2-octanol 999.26
    2-hexanone 2425.17
    octyl acetate 1017.59
    limonene 1185.93
    1,2-dimethoxyethane 4497.74
    ethyl orthosilicate 678.71
    tributyl phosphate 519.88
    diacetone alcohol 1678.63
    N,N-dimethylaniline 1285.15
    acrylonitrile 3651.58
    aniline 2061.06
    1,3-propanediol 1576.15
    bromobenzene 2995.13
    dibromomethane 6617.67
    1,1,2,2-tetrachloroethane 6320.39
    2-methyl-cyclohexyl acetate 1089.51
    tetrabutyl urea 609.58
    diisobutyl methanol 783.54
    2-phenylethanol 1333.68
    styrene 1750.53
    dioctyl adipate 812.78
    dimethyl sulfate 1387.23
    ethyl butyrate 1755.49
    methyl lactate 859.6
    butyl lactate 754.11
    diethyl carbonate 1055.86
    propanediol butyl ether 962.22
    triethyl orthoformate 1104.32
    p-tert-butyltoluene 741.21
    methyl 4-tert-butylbenzoate 1010.32
    morpholine 7891.89
    tert-butylamine 2454.69
    n-dodecanol 601.29
    dimethoxymethane 3282.97
    ethylene carbonate 2403.14
    cyrene 825.79
    2-ethoxyethyl acetate 1596.72
    2-ethylhexyl acetate 1668.92
    1,2,4-trichlorobenzene 2123.4
    4-methylpyridine 3769.26
    dibutyl ether 2152.76
    2,6-dimethyl-4-heptanol 783.54
    DEF 3089.55
    dimethyl isosorbide 1465.7
    tetrachloroethylene 4507.26
    eugenol 845.52
    triacetin 1049.8
    span 80 810.68
    1,4-butanediol 713.37
    1,1-dichloroethane 6466.13
    2-methyl-1-pentanol 1464.86
    methyl formate 1972.95
    2-methyl-1-butanol 2114.82
    n-decane 557.75
    butyronitrile 3841.56
    3,7-dimethyl-1-octanol 975.15
    1-chlorooctane 1510.56
    1-chlorotetradecane 561.15
    n-nonane 672.86
    undecane 393.6
    tert-butylcyclohexane 815.38
    cyclooctane 1196.95
    cyclopentanol 3163.02
    tetrahydropyran 9103.4
    tert-amyl methyl ether 3082.75
    2,5,8-trioxanonane 1455.42
    1-hexene 3361.83
    2-isopropoxyethanol 1689.72
    2,2,2-trifluoroethanol 755.91
    methyl butyrate 2594.3

    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