Benzene, 2,4-dimethoxy-1-methyl-

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  • Identifiers

    CAS number
    38064-90-3

    Molecular formula
    C9H12O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 64.9%
    Phenolic 59.33%
    Earthy 58.29%
    Spicy 57.07%
    Nutty 50.52%
    Anisic 48.33%
    Herbal 46.08%
    Green 39.55%
    Musty 37.67%
    Medicinal 37.57%

     

    Flavor
    Sweet 40.43%
    Earthy 39.33%
    Phenolic 36.88%
    Musty 35.94%
    Fruity 34.83%
    Spicy 33.62%
    Nutty 30.71%
    Floral 30.44%
    Vanilla 30.42%
    Powdery 29.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.4 (neutral)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    227°C

    Flash point

    • 79.35 ˚C est.

  • Synonyms

    • 2,4-Dimethoxy-1-methylbenzene
    • Benzene, 2,4-dimethoxy-1-methyl-
    • DTXSID70191474
    • NSC 72351
    • RefChem:562549
    • DTXCID80113965
    • 609-515-0
    • InChI=1/C9H12O2/c1-7-4-5-8(10-2)6-9(7)11-3/h4-6H,1-3H
    • 2,4-Dimethoxytoluene
    • 38064-90-3
    • MFCD00010749
    • NSC72351
    • 2,4-DIMETHOXY-1-METHYL-BENZENE
    • 2,4-Dimethoxytoluene, 99%
    • SCHEMBL113300
    • SCHEMBL113301
    • SCHEMBL126703
    • SCHEMBL140807
    • SCHEMBL748238
    • orb2939405
    • SCHEMBL1637863
    • SCHEMBL1810937
    • SCHEMBL29837419
    • 2,4-Dimethoxy-1-methylbenzene #
    • 4-methyl-resorcinol dimethyl ether
    • Benzene, 1,3-dimethoxy-4-methyl
    • NSC-72351
    • AKOS015851776
    • FD70979
    • HY-W324424
    • BS-51593
    • DB-019975
    • CS-0364939
    • NS00030327
    • E83820
    • EN300-191761
    • F755427
    • 38064-90-3

  • Applications

    Benzene, 2,4-dimethoxy-1-methyl- (CAS 38064-90-3) is primarily used as an organic synthesis intermediate in specialty chemical manufacture. In perfumery and fragrance research, it serves as an odorant or a precursor to more complex aroma compounds, contributing to anisole-like notes. In the fragrance and flavor sector, it may be evaluated as a building block for aroma ingredients, used under regulatory constraints and formulation limits. It also serves as an intermediate in the synthesis of dyes and pigments, as well as pharmaceutical and agrochemical intermediates, with adherence to local regulations. In development laboratories, it is used as a research chemical to explore structure-activity relationships and as a starting point for creating functional benzenoid building blocks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 573.36
    methanol 535.1
    isopropanol 439.46
    water 3.39
    ethyl acetate 557.62
    n-propanol 485.52
    acetone 337.68
    n-butanol 428.84
    acetonitrile 690.17
    DMF 480.5
    toluene 359.36
    isobutanol 312.85
    1,4-dioxane 1535.98
    methyl acetate 570.65
    THF 842.48
    2-butanone 369.49
    n-pentanol 287.87
    sec-butanol 397.5
    n-hexane 49.07
    ethylene glycol 247.46
    NMP 252.93
    cyclohexane 178.59
    DMSO 556.18
    n-butyl acetate 239.57
    n-octanol 132.84
    chloroform 2116.51
    n-propyl acetate 241.07
    acetic acid 477.99
    dichloromethane 1896.02
    cyclohexanone 432.77
    propylene glycol 236.6
    isopropyl acetate 193.65
    DMAc 360.02
    2-ethoxyethanol 529.18
    isopentanol 259.15
    n-heptane 79.29
    ethyl formate 481.06
    1,2-dichloroethane 866.69
    n-hexanol 319.24
    2-methoxyethanol 829.31
    isobutyl acetate 126.48
    tetrachloromethane 461.88
    n-pentyl acetate 129.66
    transcutol 613.33
    n-heptanol 133.18
    ethylbenzene 163.36
    MIBK 127.75
    2-propoxyethanol 472.38
    tert-butanol 521.65
    MTBE 354.52
    2-butoxyethanol 221.28
    propionic acid 379.8
    o-xylene 200.18
    formic acid 202.15
    diethyl ether 489.42
    m-xylene 171.46
    p-xylene 207.1
    chlorobenzene 376.38
    dimethyl carbonate 162.17
    n-octane 29.36
    formamide 332.76
    cyclopentanone 363.84
    2-pentanone 244.9
    anisole 321.69
    cyclopentyl methyl ether 332.88
    gamma-butyrolactone 517.74
    1-methoxy-2-propanol 459.94
    pyridine 834.0
    3-pentanone 217.33
    furfural 563.96
    n-dodecane 23.9
    diethylene glycol 398.26
    diisopropyl ether 94.48
    tert-amyl alcohol 363.69
    acetylacetone 253.55
    n-hexadecane 27.44
    acetophenone 223.78
    methyl propionate 369.93
    isopentyl acetate 173.24
    trichloroethylene 1354.21
    n-nonanol 118.41
    cyclohexanol 411.91
    benzyl alcohol 287.68
    2-ethylhexanol 173.72
    isooctanol 99.63
    dipropyl ether 237.4
    1,2-dichlorobenzene 308.49
    ethyl lactate 123.26
    propylene carbonate 326.78
    n-methylformamide 401.24
    2-pentanol 234.06
    n-pentane 61.86
    1-propoxy-2-propanol 259.16
    1-methoxy-2-propyl acetate 217.01
    2-(2-methoxypropoxy) propanol 166.62
    mesitylene 100.2
    ε-caprolactone 414.2
    p-cymene 100.94
    epichlorohydrin 844.59
    1,1,1-trichloroethane 879.75
    2-aminoethanol 359.5
    morpholine-4-carbaldehyde 537.78
    sulfolane 415.26
    2,2,4-trimethylpentane 31.66
    2-methyltetrahydrofuran 666.14
    n-hexyl acetate 182.31
    isooctane 20.94
    2-(2-butoxyethoxy)ethanol 248.77
    sec-butyl acetate 132.0
    tert-butyl acetate 182.15
    decalin 58.04
    glycerin 296.1
    diglyme 518.37
    acrylic acid 310.52
    isopropyl myristate 80.12
    n-butyric acid 452.41
    acetyl acetate 303.93
    di(2-ethylhexyl) phthalate 78.42
    ethyl propionate 221.45
    nitromethane 689.04
    1,2-diethoxyethane 280.68
    benzonitrile 365.37
    trioctyl phosphate 57.75
    1-bromopropane 528.04
    gamma-valerolactone 571.37
    n-decanol 89.25
    triethyl phosphate 113.99
    4-methyl-2-pentanol 94.96
    propionitrile 496.53
    vinylene carbonate 403.97
    1,1,2-trichlorotrifluoroethane 583.73
    DMS 156.64
    cumene 101.01
    2-octanol 86.13
    2-hexanone 188.39
    octyl acetate 103.04
    limonene 143.76
    1,2-dimethoxyethane 746.95
    ethyl orthosilicate 115.41
    tributyl phosphate 68.41
    diacetone alcohol 205.97
    N,N-dimethylaniline 182.69
    acrylonitrile 537.25
    aniline 408.33
    1,3-propanediol 498.91
    bromobenzene 414.3
    dibromomethane 1195.99
    1,1,2,2-tetrachloroethane 1034.29
    2-methyl-cyclohexyl acetate 148.13
    tetrabutyl urea 89.11
    diisobutyl methanol 94.55
    2-phenylethanol 244.04
    styrene 216.6
    dioctyl adipate 116.75
    dimethyl sulfate 183.94
    ethyl butyrate 216.78
    methyl lactate 164.53
    butyl lactate 98.38
    diethyl carbonate 176.91
    propanediol butyl ether 157.41
    triethyl orthoformate 161.19
    p-tert-butyltoluene 98.59
    methyl 4-tert-butylbenzoate 160.65
    morpholine 1402.75
    tert-butylamine 321.36
    n-dodecanol 72.38
    dimethoxymethane 446.27
    ethylene carbonate 360.1
    cyrene 173.45
    2-ethoxyethyl acetate 195.15
    2-ethylhexyl acetate 145.11
    1,2,4-trichlorobenzene 357.55
    4-methylpyridine 600.82
    dibutyl ether 152.57
    2,6-dimethyl-4-heptanol 94.55
    DEF 310.85
    dimethyl isosorbide 270.71
    tetrachloroethylene 700.19
    eugenol 170.59
    triacetin 167.59
    span 80 146.92
    1,4-butanediol 192.07
    1,1-dichloroethane 851.98
    2-methyl-1-pentanol 212.16
    methyl formate 350.39
    2-methyl-1-butanol 283.93
    n-decane 38.09
    butyronitrile 470.61
    3,7-dimethyl-1-octanol 112.9
    1-chlorooctane 111.23
    1-chlorotetradecane 49.93
    n-nonane 37.89
    undecane 28.97
    tert-butylcyclohexane 48.19
    cyclooctane 53.21
    cyclopentanol 372.2
    tetrahydropyran 986.48
    tert-amyl methyl ether 236.86
    2,5,8-trioxanonane 348.56
    1-hexene 148.65
    2-isopropoxyethanol 296.65
    2,2,2-trifluoroethanol 193.23
    methyl butyrate 278.16

    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