2,4-Dimethylanisole

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  • Identifiers

    CAS number
    6738-23-4

    Molecular formula
    C9H12O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 61.69%
    Spicy 58.17%
    Phenolic 57.83%
    Earthy 56.61%
    Nutty 48.22%
    Leathery 46.91%
    Woody 46.57%
    Smoky 38.99%
    Green 38.43%
    Medicinal 37.28%

     

    Flavor
    Spicy 47.35%
    Herbal 47.17%
    Phenolic 38.38%
    Woody 35.12%
    Sweet 33.76%
    Earthy 33.62%
    Nutty 32.11%
    Spice 29.73%
    Smoky 29.45%
    Medicinal 28.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.37 (neutral)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 191.00 to 193.00 °C. @ 760.00 mm Hg

    Flash point

    • 59.97 ˚C est.

    Solubility expt.

    • slightly
    • Slightly soluble in water, Miscible in oils
    • soluble (in ethanol)

  • Synonyms

    • 2,4-Dimethylanisole
    • 6738-23-4
    • 1-Methoxy-2,4-dimethylbenzene
    • Benzene, 1-methoxy-2,4-dimethyl-
    • 4-METHOXY-M-XYLENE
    • UNII-5V1B5L4GK6
    • 5V1B5L4GK6
    • EINECS 229-794-9
    • MFCD00008377
    • NSC-137834
    • AI3-21151
    • FEMA NO. 3828
    • 1-methoxy-2,4-dimethyl-benzene
    • UJCFZCTTZWHRNL-UHFFFAOYSA-
    • DTXSID60217733
    • 2,4-DIMETHYLANISOLE [FHFI]
    • NSC 137834
    • FEMA 3828
    • NSC137834
    • 1,3-DIMETHYL-4-METHOXYBENZENE
    • 2,4-dimethyl-anisole
    • 2,4-Dimethylanisole, 97%
    • SCHEMBL144308
    • 2,4-Dimethylanisole, >=97%
    • DTXCID10140224
    • CHEBI:167413
    • 1-Methoxy-2,4-dimethylbenzene #
    • 1-Methoxy-2,4-dimethylbenzene, 9CI
    • AKOS008952388
    • AS-59720
    • SY272738
    • DB-055024
    • CS-0153319
    • NS00022650
    • D97418
    • EN300-1250813
    • Q27262903
    • 229-794-9

  • Applications

    2,4-Dimethylanisole (CAS 6738-23-4) is primarily used as an odorant and fragrance precursor in the fragrance industry, serving as a building block for more complex aroma compounds. It is also evaluated for use as a fragrance component in cosmetics and personal care products, and can appear in household products such as cleaners and fabric softeners to impart or modify scent. In industrial manufacturing, it may function as an intermediate in the synthesis of aroma chemicals and related derivatives. Its distinctive odor profile makes it a candidate for aroma formulation and development in scent-sensitive applications, subject to formulation limits and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1880.97
    methanol 2056.39
    isopropanol 1015.89
    water 2.64
    ethyl acetate 1373.94
    n-propanol 1403.24
    acetone 819.55
    n-butanol 1404.22
    acetonitrile 1916.97
    DMF 626.65
    toluene 812.55
    isobutanol 850.58
    1,4-dioxane 3082.77
    methyl acetate 1039.21
    THF 2387.34
    2-butanone 916.64
    n-pentanol 948.21
    sec-butanol 966.4
    n-hexane 422.4
    ethylene glycol 216.09
    NMP 424.85
    cyclohexane 722.47
    DMSO 519.98
    n-butyl acetate 1327.6
    n-octanol 432.04
    chloroform 3711.26
    n-propyl acetate 749.82
    acetic acid 969.57
    dichloromethane 3876.98
    cyclohexanone 1107.82
    propylene glycol 218.64
    isopropyl acetate 525.11
    DMAc 429.2
    2-ethoxyethanol 1022.05
    isopentanol 919.02
    n-heptane 568.25
    ethyl formate 1054.61
    1,2-dichloroethane 1800.24
    n-hexanol 1389.95
    2-methoxyethanol 1442.85
    isobutyl acetate 403.93
    tetrachloromethane 1009.71
    n-pentyl acetate 458.81
    transcutol 1682.63
    n-heptanol 475.94
    ethylbenzene 410.92
    MIBK 392.48
    2-propoxyethanol 1353.13
    tert-butanol 1232.21
    MTBE 1165.22
    2-butoxyethanol 611.73
    propionic acid 607.14
    o-xylene 370.91
    formic acid 351.59
    diethyl ether 2216.99
    m-xylene 402.65
    p-xylene 433.93
    chlorobenzene 786.39
    dimethyl carbonate 241.97
    n-octane 151.09
    formamide 547.13
    cyclopentanone 819.17
    2-pentanone 760.16
    anisole 717.8
    cyclopentyl methyl ether 1000.42
    gamma-butyrolactone 954.75
    1-methoxy-2-propanol 732.08
    pyridine 1611.16
    3-pentanone 617.92
    furfural 894.56
    n-dodecane 80.93
    diethylene glycol 638.48
    diisopropyl ether 421.91
    tert-amyl alcohol 895.22
    acetylacetone 484.17
    n-hexadecane 92.13
    acetophenone 427.08
    methyl propionate 719.96
    isopentyl acetate 784.1
    trichloroethylene 2395.27
    n-nonanol 376.0
    cyclohexanol 924.34
    benzyl alcohol 507.21
    2-ethylhexanol 746.26
    isooctanol 334.68
    dipropyl ether 1381.25
    1,2-dichlorobenzene 609.35
    ethyl lactate 218.8
    propylene carbonate 625.06
    n-methylformamide 673.03
    2-pentanol 763.02
    n-pentane 448.85
    1-propoxy-2-propanol 830.29
    1-methoxy-2-propyl acetate 590.06
    2-(2-methoxypropoxy) propanol 415.85
    mesitylene 236.46
    ε-caprolactone 939.41
    p-cymene 301.38
    epichlorohydrin 1716.12
    1,1,1-trichloroethane 1781.62
    2-aminoethanol 477.95
    morpholine-4-carbaldehyde 879.17
    sulfolane 599.18
    2,2,4-trimethylpentane 130.65
    2-methyltetrahydrofuran 1890.99
    n-hexyl acetate 599.95
    isooctane 109.44
    2-(2-butoxyethoxy)ethanol 629.48
    sec-butyl acetate 409.24
    tert-butyl acetate 479.28
    decalin 190.74
    glycerin 236.13
    diglyme 1277.98
    acrylic acid 413.7
    isopropyl myristate 241.02
    n-butyric acid 1082.69
    acetyl acetate 552.9
    di(2-ethylhexyl) phthalate 192.17
    ethyl propionate 611.03
    nitromethane 1107.99
    1,2-diethoxyethane 1213.08
    benzonitrile 730.92
    trioctyl phosphate 150.81
    1-bromopropane 1617.3
    gamma-valerolactone 1096.05
    n-decanol 271.22
    triethyl phosphate 279.3
    4-methyl-2-pentanol 338.05
    propionitrile 1382.44
    vinylene carbonate 686.55
    1,1,2-trichlorotrifluoroethane 714.91
    DMS 320.16
    cumene 257.0
    2-octanol 294.28
    2-hexanone 680.98
    octyl acetate 305.54
    limonene 453.33
    1,2-dimethoxyethane 1883.4
    ethyl orthosilicate 313.59
    tributyl phosphate 186.28
    diacetone alcohol 426.2
    N,N-dimethylaniline 384.44
    acrylonitrile 1102.22
    aniline 698.01
    1,3-propanediol 812.24
    bromobenzene 862.33
    dibromomethane 2760.65
    1,1,2,2-tetrachloroethane 1640.57
    2-methyl-cyclohexyl acetate 437.88
    tetrabutyl urea 216.8
    diisobutyl methanol 332.52
    2-phenylethanol 583.95
    styrene 519.95
    dioctyl adipate 308.19
    dimethyl sulfate 193.18
    ethyl butyrate 887.33
    methyl lactate 187.87
    butyl lactate 237.33
    diethyl carbonate 561.36
    propanediol butyl ether 301.17
    triethyl orthoformate 540.72
    p-tert-butyltoluene 274.57
    methyl 4-tert-butylbenzoate 326.99
    morpholine 2871.0
    tert-butylamine 999.53
    n-dodecanol 209.91
    dimethoxymethane 884.47
    ethylene carbonate 668.72
    cyrene 320.55
    2-ethoxyethyl acetate 590.74
    2-ethylhexyl acetate 665.67
    1,2,4-trichlorobenzene 623.68
    4-methylpyridine 1233.61
    dibutyl ether 705.95
    2,6-dimethyl-4-heptanol 332.52
    DEF 762.93
    dimethyl isosorbide 643.66
    tetrachloroethylene 1247.52
    eugenol 339.31
    triacetin 370.48
    span 80 366.69
    1,4-butanediol 300.83
    1,1-dichloroethane 1827.22
    2-methyl-1-pentanol 722.74
    methyl formate 519.74
    2-methyl-1-butanol 877.0
    n-decane 151.57
    butyronitrile 1705.51
    3,7-dimethyl-1-octanol 365.57
    1-chlorooctane 400.17
    1-chlorotetradecane 148.89
    n-nonane 170.59
    undecane 104.66
    tert-butylcyclohexane 174.04
    cyclooctane 241.01
    cyclopentanol 753.09
    tetrahydropyran 2884.98
    tert-amyl methyl ether 742.45
    2,5,8-trioxanonane 794.94
    1-hexene 897.72
    2-isopropoxyethanol 635.97
    2,2,2-trifluoroethanol 251.21
    methyl butyrate 763.14

    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