3,4-Dimethoxytoluene

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  • Identifiers

    CAS number
    494-99-5

    Molecular formula
    C9H12O2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1851.0

  • Odor profile

    Fragrance
    Phenolic 66.95%
    Spicy 58.82%
    Sweet 55.77%
    Earthy 55.73%
    Vanilla 51.45%
    Smoky 50.28%
    Nutty 48.72%
    Woody 48.21%
    Medicinal 40.21%
    Leathery 39.05%

     

    Flavor
    Phenolic 55.93%
    Smoky 44.06%
    Spice 44.03%
    Musty 41.77%
    Vanilla 40.47%
    Woody 38.84%
    Smoke 36.05%
    Bacon 35.75%
    Sweet 35.05%
    Earthy 34.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.82 (neutral)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 76.79 ˚C est.

  • Synonyms

    • 3,4-Dimethoxytoluene
    • 494-99-5
    • 1,2-Dimethoxy-4-methylbenzene
    • Homoveratrole
    • 4-Methylveratrole
    • Benzene, 1,2-dimethoxy-4-methyl-
    • 4-Methylveratrol
    • 4-Methyl-1,2-dimethoxybenzene
    • Toluene, 3,4-dimethoxy-
    • NSC 7378
    • UNII-349X0G2SSF
    • MFCD00016651
    • 349X0G2SSF
    • Veratrole, 4-methyl-
    • 3,4-dimethoxy-toluene
    • NSC-7378
    • EINECS 207-796-0
    • CHEMBL273904
    • DTXSID8060088
    • 4-METHYLCATECHOL DIMETHYL ETHER
    • 3,?4-?Dimethoxytoluene
    • 1,2-Dimethoxy-4-methyl-benzene
    • 4Methylveratrol
    • 4Methylveratrole
    • 4 -methylveratrole
    • 3.4-dimethoxytoluene
    • Toluene,4-dimethoxy-
    • Toluene, 3,4dimethoxy
    • 4Methyl1,2dimethoxybenzene
    • SCHEMBL12518
    • 3,4-Dimethoxytoluene, 96%
    • Benzene, 1,2dimethoxy4methyl
    • Benzene,2-dimethoxy-4-methyl-
    • DTXCID3040691
    • Toluene, 3,4dimethoxy (8CI)
    • NSC7378
    • AC8401
    • BDBM50008536
    • AKOS000120780
    • CS-W018091
    • FD71359
    • AS-15527
    • SY012769
    • DB-021933
    • D1986
    • NS00022236
    • EN300-16175
    • Q27256350
    • Z54180242
    • Homoveratrole;4-Methylveratrole;4-Methyl 1,2-dimethoxybenzene
    • 207-796-0

  • Applications

    3,4-Dimethoxytoluene (CAS 494-99-5) is primarily used as a fragrance intermediate and odorant in perfumery and related aroma chemistry within industrial manufacturing, contributing anisole-like aroma notes; it also serves as a chemical intermediate in the synthesis of other fragrance and aroma compounds, and may be used in cosmetics/personal care formulations as a fragrance ingredient; in household products and in coatings/inks it can function as a minor odorant additive. Its role is generally that of an intermediate or building block rather than a direct active ingredient.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 931.25
    methanol 770.97
    isopropanol 736.41
    water 8.57
    ethyl acetate 1159.2
    n-propanol 801.92
    acetone 1681.94
    n-butanol 620.47
    acetonitrile 2040.48
    DMF 1769.97
    toluene 436.48
    isobutanol 549.35
    1,4-dioxane 2626.58
    methyl acetate 1503.65
    THF 1964.83
    2-butanone 1066.58
    n-pentanol 426.85
    sec-butanol 646.77
    n-hexane 130.56
    ethylene glycol 514.18
    NMP 960.08
    cyclohexane 352.89
    DMSO 1469.44
    n-butyl acetate 655.46
    n-octanol 332.49
    chloroform 4164.27
    n-propyl acetate 736.64
    acetic acid 1423.02
    dichloromethane 4491.27
    cyclohexanone 1394.38
    propylene glycol 399.06
    isopropyl acetate 490.33
    DMAc 790.45
    2-ethoxyethanol 886.41
    isopentanol 384.41
    n-heptane 187.51
    ethyl formate 1430.99
    1,2-dichloroethane 2424.72
    n-hexanol 517.0
    2-methoxyethanol 1417.4
    isobutyl acetate 367.69
    tetrachloromethane 1048.7
    n-pentyl acetate 389.91
    transcutol 869.82
    n-heptanol 295.84
    ethylbenzene 302.64
    MIBK 349.73
    2-propoxyethanol 778.9
    tert-butanol 904.44
    MTBE 689.65
    2-butoxyethanol 449.22
    propionic acid 1030.61
    o-xylene 328.55
    formic acid 436.26
    diethyl ether 956.56
    m-xylene 299.74
    p-xylene 440.01
    chlorobenzene 850.75
    dimethyl carbonate 530.09
    n-octane 93.89
    formamide 831.43
    cyclopentanone 1640.04
    2-pentanone 734.94
    anisole 625.73
    cyclopentyl methyl ether 804.28
    gamma-butyrolactone 2133.76
    1-methoxy-2-propanol 808.07
    pyridine 1395.58
    3-pentanone 639.56
    furfural 1585.07
    n-dodecane 68.3
    diethylene glycol 739.89
    diisopropyl ether 237.45
    tert-amyl alcohol 643.5
    acetylacetone 826.35
    n-hexadecane 78.33
    acetophenone 525.47
    methyl propionate 894.71
    isopentyl acetate 455.84
    trichloroethylene 3912.49
    n-nonanol 265.1
    cyclohexanol 712.15
    benzyl alcohol 490.94
    2-ethylhexanol 338.84
    isooctanol 227.08
    dipropyl ether 513.69
    1,2-dichlorobenzene 812.39
    ethyl lactate 386.31
    propylene carbonate 1258.97
    n-methylformamide 1346.52
    2-pentanol 403.2
    n-pentane 141.63
    1-propoxy-2-propanol 510.33
    1-methoxy-2-propyl acetate 469.63
    2-(2-methoxypropoxy) propanol 318.01
    mesitylene 225.27
    ε-caprolactone 1187.01
    p-cymene 235.84
    epichlorohydrin 2264.09
    1,1,1-trichloroethane 2435.15
    2-aminoethanol 570.76
    morpholine-4-carbaldehyde 1300.65
    sulfolane 1789.38
    2,2,4-trimethylpentane 72.53
    2-methyltetrahydrofuran 1368.38
    n-hexyl acetate 541.29
    isooctane 58.16
    2-(2-butoxyethoxy)ethanol 436.33
    sec-butyl acetate 349.01
    tert-butyl acetate 442.33
    decalin 138.03
    glycerin 538.98
    diglyme 1092.24
    acrylic acid 971.62
    isopropyl myristate 227.72
    n-butyric acid 1065.46
    acetyl acetate 745.93
    di(2-ethylhexyl) phthalate 177.34
    ethyl propionate 604.59
    nitromethane 2754.4
    1,2-diethoxyethane 535.3
    benzonitrile 774.68
    trioctyl phosphate 157.44
    1-bromopropane 1049.46
    gamma-valerolactone 1713.08
    n-decanol 206.81
    triethyl phosphate 273.74
    4-methyl-2-pentanol 188.85
    propionitrile 1147.43
    vinylene carbonate 1266.35
    1,1,2-trichlorotrifluoroethane 1422.83
    DMS 451.58
    cumene 222.7
    2-octanol 235.13
    2-hexanone 555.97
    octyl acetate 289.33
    limonene 322.87
    1,2-dimethoxyethane 1657.78
    ethyl orthosilicate 248.39
    tributyl phosphate 183.59
    diacetone alcohol 482.15
    N,N-dimethylaniline 349.08
    acrylonitrile 1488.35
    aniline 537.93
    1,3-propanediol 761.37
    bromobenzene 943.47
    dibromomethane 2800.91
    1,1,2,2-tetrachloroethane 2764.82
    2-methyl-cyclohexyl acetate 353.13
    tetrabutyl urea 233.54
    diisobutyl methanol 209.25
    2-phenylethanol 417.91
    styrene 399.23
    dioctyl adipate 306.54
    dimethyl sulfate 670.07
    ethyl butyrate 549.55
    methyl lactate 441.32
    butyl lactate 272.87
    diethyl carbonate 466.77
    propanediol butyl ether 365.78
    triethyl orthoformate 369.55
    p-tert-butyltoluene 231.46
    methyl 4-tert-butylbenzoate 396.9
    morpholine 2099.83
    tert-butylamine 546.95
    n-dodecanol 168.72
    dimethoxymethane 1144.44
    ethylene carbonate 1148.96
    cyrene 378.19
    2-ethoxyethyl acetate 460.33
    2-ethylhexyl acetate 373.7
    1,2,4-trichlorobenzene 844.52
    4-methylpyridine 1054.36
    dibutyl ether 389.81
    2,6-dimethyl-4-heptanol 209.25
    DEF 832.98
    dimethyl isosorbide 581.73
    tetrachloroethylene 2004.63
    eugenol 344.96
    triacetin 463.26
    span 80 289.48
    1,4-butanediol 360.75
    1,1-dichloroethane 2291.15
    2-methyl-1-pentanol 299.39
    methyl formate 1485.32
    2-methyl-1-butanol 400.48
    n-decane 111.4
    butyronitrile 1085.44
    3,7-dimethyl-1-octanol 248.63
    1-chlorooctane 318.86
    1-chlorotetradecane 133.77
    n-nonane 120.53
    undecane 84.78
    tert-butylcyclohexane 115.03
    cyclooctane 127.68
    cyclopentanol 883.06
    tetrahydropyran 1682.64
    tert-amyl methyl ether 449.71
    2,5,8-trioxanonane 616.77
    1-hexene 325.84
    2-isopropoxyethanol 538.61
    2,2,2-trifluoroethanol 621.16
    methyl butyrate 854.56

    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

Botanical

Name CAS Botanical Proportion
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.03%