Benzene, 2-methoxy-1,3,5-trimethyl-

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  • Identifiers

    CAS number
    4028-66-4

    Molecular formula
    C10H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Spicy 58.53%
    Phenolic 54.31%
    Woody 50.95%
    Herbal 48.32%
    Leathery 47.49%
    Earthy 46.55%
    Smoky 40.38%
    Medicinal 36.61%
    Musty 33.27%
    Burnt 32.3%

     

    Flavor
    Woody 39.36%
    Phenolic 34.18%
    Spicy 33.68%
    Earthy 31.31%
    Musty 31.09%
    Herbal 30.01%
    Camphor 28.74%
    Leather 27.89%
    Spice 27.56%
    Smoky 26.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.4 (neutral)

    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

    • 65.68 ˚C est.

  • Synonyms

    • 2,4,6-Trimethylanisole
    • 4028-66-4
    • Benzene, 2-methoxy-1,3,5-trimethyl-
    • Methoxymesitylene
    • Anisole, 2,4,6-trimethyl-
    • DTXSID20193266
    • RefChem:323900
    • DTXCID30115757
    • NNVKEOMPDSKFGZ-UHFFFAOYSA-N
    • 2-Methoxy-1,3,5-trimethylbenzene
    • MFCD03092887
    • 246-TRIMETHYLANISOLE
    • SCHEMBL129762
    • SCHEMBL542689
    • orb3023745
    • SCHEMBL1047352
    • SCHEMBL2813523
    • SCHEMBL2813524
    • SCHEMBL7505197
    • 1-methoxy-2,4,6-trimethylbenzene
    • 2-methoxy-1,3,5-trimethyl-benzene
    • 2-Methoxy-1,3,5-trimethylbenzene;
    • 2-Methoxy-1,3,5-trimethylbenzene #
    • AKOS026675633
    • PS-8925
    • SY269666
    • DB-337899
    • CS-0210613
    • F467124
    • 4028-66-4

  • Applications

    Benzene, 2-methoxy-1,3,5-trimethyl- (CAS 4028-66-4) is primarily used as a chemical building block in organic synthesis and as a processing solvent in industrial manufacturing; in fragrance and perfumery, it may serve as a fragrance ingredient or fragrance precursor; in coatings, inks, and adhesives, it is employed as a processing solvent and intermediate for resin formulations; in the plastics and polymers sector, it provides a building block for aromatic compounds used in specialty materials; in research and development settings, it is used as a reference material or precursor for developing new materials. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3738.84
    methanol 5042.19
    isopropanol 2094.98
    water 5.49
    ethyl acetate 3410.32
    n-propanol 2801.53
    acetone 2917.9
    n-butanol 2808.92
    acetonitrile 5093.86
    DMF 1927.84
    toluene 2044.87
    isobutanol 1835.82
    1,4-dioxane 6765.24
    methyl acetate 2611.06
    THF 6724.78
    2-butanone 2370.32
    n-pentanol 1978.4
    sec-butanol 1936.21
    n-hexane 1456.83
    ethylene glycol 367.4
    NMP 1395.88
    cyclohexane 2315.16
    DMSO 1201.3
    n-butyl acetate 3617.26
    n-octanol 1061.0
    chloroform 8853.53
    n-propyl acetate 1989.58
    acetic acid 2298.34
    dichloromethane 9219.03
    cyclohexanone 3347.2
    propylene glycol 352.12
    isopropyl acetate 1537.1
    DMAc 1058.34
    2-ethoxyethanol 2103.79
    isopentanol 2002.39
    n-heptane 1652.02
    ethyl formate 2730.12
    1,2-dichloroethane 4500.69
    n-hexanol 3003.55
    2-methoxyethanol 3059.83
    isobutyl acetate 1108.68
    tetrachloromethane 2645.91
    n-pentyl acetate 1436.31
    transcutol 2988.22
    n-heptanol 1133.69
    ethylbenzene 1082.45
    MIBK 1173.25
    2-propoxyethanol 2983.05
    tert-butanol 2339.87
    MTBE 2835.86
    2-butoxyethanol 1330.39
    propionic acid 1311.1
    o-xylene 913.92
    formic acid 810.07
    diethyl ether 5743.2
    m-xylene 1126.92
    p-xylene 1218.13
    chlorobenzene 2173.94
    dimethyl carbonate 793.03
    n-octane 506.21
    formamide 1311.58
    cyclopentanone 2603.68
    2-pentanone 2321.91
    anisole 1691.7
    cyclopentyl methyl ether 3188.15
    gamma-butyrolactone 2988.87
    1-methoxy-2-propanol 1626.24
    pyridine 3574.1
    3-pentanone 1737.43
    furfural 2217.35
    n-dodecane 254.4
    diethylene glycol 1286.02
    diisopropyl ether 1354.03
    tert-amyl alcohol 1753.9
    acetylacetone 1486.2
    n-hexadecane 293.58
    acetophenone 1039.59
    methyl propionate 1864.6
    isopentyl acetate 2155.59
    trichloroethylene 5939.7
    n-nonanol 923.49
    cyclohexanol 2287.27
    benzyl alcohol 1116.31
    2-ethylhexanol 1861.27
    isooctanol 838.91
    dipropyl ether 3802.73
    1,2-dichlorobenzene 1642.97
    ethyl lactate 528.74
    propylene carbonate 1852.1
    n-methylformamide 1905.27
    2-pentanol 1702.48
    n-pentane 1403.67
    1-propoxy-2-propanol 1939.9
    1-methoxy-2-propyl acetate 1542.59
    2-(2-methoxypropoxy) propanol 768.12
    mesitylene 700.97
    ε-caprolactone 2609.37
    p-cymene 852.6
    epichlorohydrin 4324.4
    1,1,1-trichloroethane 4323.12
    2-aminoethanol 874.84
    morpholine-4-carbaldehyde 2158.64
    sulfolane 1763.91
    2,2,4-trimethylpentane 398.47
    2-methyltetrahydrofuran 4979.83
    n-hexyl acetate 1814.39
    isooctane 362.79
    2-(2-butoxyethoxy)ethanol 1202.81
    sec-butyl acetate 1085.58
    tert-butyl acetate 1418.08
    decalin 616.26
    glycerin 393.2
    diglyme 2646.65
    acrylic acid 957.82
    isopropyl myristate 647.55
    n-butyric acid 2587.73
    acetyl acetate 1517.31
    di(2-ethylhexyl) phthalate 433.89
    ethyl propionate 1611.35
    nitromethane 3045.87
    1,2-diethoxyethane 3006.33
    benzonitrile 1804.34
    trioctyl phosphate 396.76
    1-bromopropane 3830.7
    gamma-valerolactone 3222.2
    n-decanol 658.18
    triethyl phosphate 686.82
    4-methyl-2-pentanol 812.43
    propionitrile 3213.65
    vinylene carbonate 1923.72
    1,1,2-trichlorotrifluoroethane 1676.07
    DMS 924.95
    cumene 671.68
    2-octanol 782.78
    2-hexanone 1845.83
    octyl acetate 837.97
    limonene 1339.8
    1,2-dimethoxyethane 4451.83
    ethyl orthosilicate 785.51
    tributyl phosphate 492.35
    diacetone alcohol 1019.0
    N,N-dimethylaniline 906.03
    acrylonitrile 2733.81
    aniline 1470.86
    1,3-propanediol 1600.88
    bromobenzene 2422.65
    dibromomethane 6657.34
    1,1,2,2-tetrachloroethane 4019.79
    2-methyl-cyclohexyl acetate 1180.29
    tetrabutyl urea 567.13
    diisobutyl methanol 865.67
    2-phenylethanol 1338.16
    styrene 1316.3
    dioctyl adipate 742.42
    dimethyl sulfate 586.98
    ethyl butyrate 2316.96
    methyl lactate 458.25
    butyl lactate 632.42
    diethyl carbonate 1411.34
    propanediol butyl ether 657.87
    triethyl orthoformate 1425.38
    p-tert-butyltoluene 796.19
    methyl 4-tert-butylbenzoate 759.72
    morpholine 5889.67
    tert-butylamine 1978.13
    n-dodecanol 502.41
    dimethoxymethane 2694.09
    ethylene carbonate 1959.02
    cyrene 629.06
    2-ethoxyethyl acetate 1539.39
    2-ethylhexyl acetate 1869.35
    1,2,4-trichlorobenzene 1580.86
    4-methylpyridine 3115.78
    dibutyl ether 2024.75
    2,6-dimethyl-4-heptanol 865.67
    DEF 2172.98
    dimethyl isosorbide 1439.23
    tetrachloroethylene 3298.09
    eugenol 701.65
    triacetin 872.2
    span 80 729.45
    1,4-butanediol 616.91
    1,1-dichloroethane 4331.7
    2-methyl-1-pentanol 1559.12
    methyl formate 1722.4
    2-methyl-1-butanol 1866.87
    n-decane 492.52
    butyronitrile 4039.92
    3,7-dimethyl-1-octanol 931.01
    1-chlorooctane 1147.15
    1-chlorotetradecane 432.38
    n-nonane 571.87
    undecane 339.16
    tert-butylcyclohexane 550.66
    cyclooctane 907.89
    cyclopentanol 1936.34
    tetrahydropyran 7168.47
    tert-amyl methyl ether 1899.85
    2,5,8-trioxanonane 1452.19
    1-hexene 2478.92
    2-isopropoxyethanol 1304.05
    2,2,2-trifluoroethanol 645.48
    methyl butyrate 1977.38

    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