2,6-Dimethoxytoluene

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  • Identifiers

    CAS number
    5673-07-4

    Molecular formula
    C9H12O2

    SMILES
    CC1=C(C=CC=C1OC)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 64.58%
    Spicy 62.25%
    Sweet 60.72%
    Earthy 58.5%
    Herbal 46.25%
    Nutty 45.25%
    Smoky 43.87%
    Medicinal 41.75%
    Anisic 41.23%
    Woody 40.64%

     

    Flavor
    Earthy 42.96%
    Sweet 40.37%
    Musty 37.8%
    Phenolic 37.07%
    Spicy 34.43%
    Fruity 32.75%
    Nutty 31.88%
    Smoky 30.65%
    Floral 30.58%
    Herbal 29.54%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.32 (neutral)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 78.15 ˚C est.

  • Synonyms

    • 2,6-Dimethoxytoluene
    • 5673-07-4
    • 1,3-Dimethoxy-2-methylbenzene
    • EINECS 227-131-8
    • NSC 62674
    • NSC-62674
    • 2-METHYL-1,3-DIMETHOXYBENZENE
    • 3P2C6I4244
    • DTXSID4022230
    • UNII-3P2C6I4244
    • TOLUENE, 2,6-DIMETHOXY-
    • 2-Methylresorcinol, dimethyl ether
    • 2-METHYLRESORCINOL DIMETHYL ETHER
    • RefChem:83273
    • DTXCID502230
    • 227-131-8
    • FPEUDBGJAVKAEE-UHFFFAOYSA-N
    • InChI=1/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H
    • Benzene, 1,3-dimethoxy-2-methyl-
    • MFCD00008374
    • 1,3-dimethoxy-2-methyl-benzene
    • NSC62674
    • 2-methyl-1,3-bis(methyloxy)benzene
    • 2,6-Dimethoxytoluene, 98%
    • SCHEMBL146841
    • SCHEMBL217560
    • SCHEMBL312352
    • SCHEMBL1849617
    • SCHEMBL2098146
    • SCHEMBL9046346
    • 1,3-Dimethoxy-2-methylbenzene #
    • AC8327
    • STL280190
    • AKOS015890103
    • FD67953
    • AC-25935
    • AS-14440
    • SY049238
    • DB-020226
    • CS-0153507
    • D2246
    • NS00046728
    • ST50824356
    • EN300-180986
    • F050296
    • Q27257835
    • 5673-07-4

  • Applications

    2,6-Dimethoxytoluene (CAS 5673-07-4) is primarily used as a synthetic intermediate for specialty chemicals and fragrance chemistry. In the fragrance and perfumery sector, it serves as a precursor or building block for aroma compounds used in commercial formulations. It also functions as a building block in polymer and plastics chemistry, providing a precursor for monomers or additives used in coatings and inks. Additionally, it may be used as an intermediate in the synthesis of pharmaceutical or agrochemical compounds, and is considered in research and development contexts for formulation development, subject to local regulations and synthesis limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 667.87
    methanol 703.89
    isopropanol 479.33
    water 5.52
    ethyl acetate 895.35
    n-propanol 572.24
    acetone 741.32
    n-butanol 508.56
    acetonitrile 1327.76
    DMF 737.74
    toluene 496.71
    isobutanol 420.47
    1,4-dioxane 2146.36
    methyl acetate 899.37
    THF 1457.73
    2-butanone 640.25
    n-pentanol 400.86
    sec-butanol 454.15
    n-hexane 149.47
    ethylene glycol 287.9
    NMP 539.71
    cyclohexane 390.71
    DMSO 817.65
    n-butyl acetate 545.04
    n-octanol 232.51
    chloroform 3317.44
    n-propyl acetate 573.29
    acetic acid 781.51
    dichloromethane 3932.26
    cyclohexanone 898.37
    propylene glycol 195.83
    isopropyl acetate 374.41
    DMAc 484.3
    2-ethoxyethanol 747.3
    isopentanol 369.01
    n-heptane 191.49
    ethyl formate 806.86
    1,2-dichloroethane 1889.29
    n-hexanol 427.13
    2-methoxyethanol 951.28
    isobutyl acetate 294.97
    tetrachloromethane 991.62
    n-pentyl acetate 292.6
    transcutol 778.85
    n-heptanol 222.07
    ethylbenzene 305.1
    MIBK 272.96
    2-propoxyethanol 647.92
    tert-butanol 681.82
    MTBE 613.14
    2-butoxyethanol 363.87
    propionic acid 559.12
    o-xylene 327.59
    formic acid 312.03
    diethyl ether 952.49
    m-xylene 303.44
    p-xylene 383.92
    chlorobenzene 715.41
    dimethyl carbonate 315.55
    n-octane 78.06
    formamide 515.36
    cyclopentanone 864.04
    2-pentanone 468.62
    anisole 563.48
    cyclopentyl methyl ether 631.72
    gamma-butyrolactone 1120.85
    1-methoxy-2-propanol 499.54
    pyridine 1192.66
    3-pentanone 467.35
    furfural 1037.21
    n-dodecane 53.76
    diethylene glycol 504.6
    diisopropyl ether 237.52
    tert-amyl alcohol 496.5
    acetylacetone 509.31
    n-hexadecane 62.52
    acetophenone 418.55
    methyl propionate 584.12
    isopentyl acetate 372.48
    trichloroethylene 2740.2
    n-nonanol 203.18
    cyclohexanol 542.71
    benzyl alcohol 426.38
    2-ethylhexanol 291.66
    isooctanol 176.73
    dipropyl ether 523.74
    1,2-dichlorobenzene 667.92
    ethyl lactate 227.09
    propylene carbonate 666.46
    n-methylformamide 644.0
    2-pentanol 325.41
    n-pentane 157.06
    1-propoxy-2-propanol 390.62
    1-methoxy-2-propyl acetate 373.73
    2-(2-methoxypropoxy) propanol 264.42
    mesitylene 208.29
    ε-caprolactone 792.08
    p-cymene 210.18
    epichlorohydrin 1610.37
    1,1,1-trichloroethane 1881.01
    2-aminoethanol 368.91
    morpholine-4-carbaldehyde 818.07
    sulfolane 993.0
    2,2,4-trimethylpentane 77.24
    2-methyltetrahydrofuran 1134.42
    n-hexyl acetate 364.7
    isooctane 59.02
    2-(2-butoxyethoxy)ethanol 365.92
    sec-butyl acetate 304.07
    tert-butyl acetate 373.85
    decalin 137.61
    glycerin 287.25
    diglyme 887.36
    acrylic acid 498.0
    isopropyl myristate 172.39
    n-butyric acid 637.82
    acetyl acetate 530.5
    di(2-ethylhexyl) phthalate 138.14
    ethyl propionate 484.64
    nitromethane 1314.7
    1,2-diethoxyethane 529.84
    benzonitrile 605.28
    trioctyl phosphate 115.28
    1-bromopropane 948.45
    gamma-valerolactone 1033.8
    n-decanol 154.35
    triethyl phosphate 230.98
    4-methyl-2-pentanol 163.82
    propionitrile 895.39
    vinylene carbonate 753.1
    1,1,2-trichlorotrifluoroethane 911.3
    DMS 300.41
    cumene 211.19
    2-octanol 159.04
    2-hexanone 435.22
    octyl acetate 208.76
    limonene 282.83
    1,2-dimethoxyethane 1298.59
    ethyl orthosilicate 226.66
    tributyl phosphate 137.47
    diacetone alcohol 346.72
    N,N-dimethylaniline 336.51
    acrylonitrile 931.01
    aniline 528.06
    1,3-propanediol 523.52
    bromobenzene 832.88
    dibromomethane 2399.79
    1,1,2,2-tetrachloroethane 1908.14
    2-methyl-cyclohexyl acetate 287.97
    tetrabutyl urea 169.18
    diisobutyl methanol 174.42
    2-phenylethanol 360.1
    styrene 382.14
    dioctyl adipate 234.65
    dimethyl sulfate 357.62
    ethyl butyrate 496.87
    methyl lactate 224.93
    butyl lactate 178.68
    diethyl carbonate 393.21
    propanediol butyl ether 219.73
    triethyl orthoformate 329.95
    p-tert-butyltoluene 196.63
    methyl 4-tert-butylbenzoate 296.02
    morpholine 1694.22
    tert-butylamine 495.67
    n-dodecanol 124.61
    dimethoxymethane 732.37
    ethylene carbonate 683.18
    cyrene 297.22
    2-ethoxyethyl acetate 373.73
    2-ethylhexyl acetate 317.4
    1,2,4-trichlorobenzene 694.35
    4-methylpyridine 852.92
    dibutyl ether 333.69
    2,6-dimethyl-4-heptanol 174.42
    DEF 572.95
    dimethyl isosorbide 467.45
    tetrachloroethylene 1452.15
    eugenol 291.31
    triacetin 306.1
    span 80 221.13
    1,4-butanediol 244.87
    1,1-dichloroethane 1698.26
    2-methyl-1-pentanol 322.15
    methyl formate 653.55
    2-methyl-1-butanol 374.99
    n-decane 90.07
    butyronitrile 845.41
    3,7-dimethyl-1-octanol 196.43
    1-chlorooctane 247.79
    1-chlorotetradecane 109.23
    n-nonane 95.41
    undecane 67.6
    tert-butylcyclohexane 117.08
    cyclooctane 138.04
    cyclopentanol 575.36
    tetrahydropyran 1496.68
    tert-amyl methyl ether 421.64
    2,5,8-trioxanonane 533.55
    1-hexene 308.41
    2-isopropoxyethanol 469.56
    2,2,2-trifluoroethanol 353.78
    methyl butyrate 611.93

    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