4-Ethyl-1,2-dimethoxybenzene

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  • Identifiers

    CAS number
    5888-51-7

    Molecular formula
    C10H14O2

    SMILES
    CCC1=CC(=C(C=C1)OC)OC

  • Odor profile

    Fragrance
    Spicy 66.29%
    Phenolic 64.68%
    Earthy 54.2%
    Smoky 49.48%
    Sweet 44.73%
    Nutty 42.4%
    Woody 40.98%
    Musty 38.3%
    Leathery 37.14%
    Medicinal 37.09%

     

    Flavor
    Earthy 48.14%
    Musty 47.16%
    Phenolic 42.06%
    Spice 36.95%
    Spicy 35.97%
    Smoky 33.63%
    Sweet 29.45%
    Vanilla 28.72%
    Burnt 27.33%
    Nutty 27.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.77 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    242°C

    Flash point

    • 83.74 ˚C est.

  • Synonyms

    • 4-Ethyl-1,2-dimethoxybenzene
    • 5888-51-7
    • 1,2-Dimethoxy-4-ethylbenzene
    • 4-Ethylveratrole
    • 3,4-Dimethoxyphenylethane
    • Benzene, 1,2-dimethoxy-4-ethyl-
    • 4-Ethyl-2-methoxyanisole
    • Benzene, 4-ethyl-1,2-dimethoxy-
    • 4-ethyl-1,2-dimethoxy-benzene
    • 1,2-Dimethoxy-4-ethyl-benzene
    • DTXSID90207581
    • 1,2-dimethoxy-4-ethyl-benzen
    • MFCD00673001
    • 3,4-dimethoxyethylbenzene
    • SCHEMBL31428
    • DTXCID40130072
    • CHEBI:195772
    • AKOS006273688
    • 4-Ethyl-1 pound not2-dimethoxybenzene
    • DS-5261
    • SY115240
    • CS-0152537
    • C75755
    • A832791

  • Applications

    4-Ethyl-1,2-dimethoxybenzene (CAS 5888-51-7) is primarily used as a synthetic intermediate in fragrance chemistry, acting as a building block for the synthesis of substituted anisole-type aroma compounds. It is commonly evaluated as a precursor for fragrance ingredients used in perfumery and for flavor-related applications. In cosmetics and personal care, it may serve as an intermediate in the development of fragrance components; in household products, as an aroma precursor for air fresheners and cleaners; and in industrial manufacturing as a starting material for the production of specialty chemicals tied to fragrance and flavor applications. Its use is intermediate-focused and formulation-dependent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 638.67
    methanol 530.27
    isopropanol 443.57
    water 1.74
    ethyl acetate 1059.12
    n-propanol 574.72
    acetone 1313.31
    n-butanol 459.34
    acetonitrile 1521.34
    DMF 1172.92
    toluene 374.54
    isobutanol 388.53
    1,4-dioxane 2136.38
    methyl acetate 1176.67
    THF 1384.26
    2-butanone 831.46
    n-pentanol 329.28
    sec-butanol 412.72
    n-hexane 77.36
    ethylene glycol 263.2
    NMP 712.9
    cyclohexane 306.41
    DMSO 1068.31
    n-butyl acetate 639.39
    n-octanol 211.3
    chloroform 3982.95
    n-propyl acetate 618.92
    acetic acid 1097.11
    dichloromethane 4505.54
    cyclohexanone 1304.11
    propylene glycol 210.81
    isopropyl acetate 427.64
    DMAc 551.7
    2-ethoxyethanol 705.51
    isopentanol 329.18
    n-heptane 98.96
    ethyl formate 1095.3
    1,2-dichloroethane 2573.01
    n-hexanol 384.13
    2-methoxyethanol 1066.76
    isobutyl acetate 324.46
    tetrachloromethane 911.17
    n-pentyl acetate 341.28
    transcutol 890.1
    n-heptanol 211.4
    ethylbenzene 238.89
    MIBK 285.27
    2-propoxyethanol 606.77
    tert-butanol 639.8
    MTBE 557.03
    2-butoxyethanol 350.44
    propionic acid 742.66
    o-xylene 261.32
    formic acid 302.31
    diethyl ether 798.28
    m-xylene 245.3
    p-xylene 322.74
    chlorobenzene 862.72
    dimethyl carbonate 370.01
    n-octane 53.41
    formamide 606.13
    cyclopentanone 1291.97
    2-pentanone 593.56
    anisole 525.34
    cyclopentyl methyl ether 586.29
    gamma-butyrolactone 1804.49
    1-methoxy-2-propanol 547.44
    pyridine 1464.42
    3-pentanone 491.63
    furfural 1456.23
    n-dodecane 40.32
    diethylene glycol 504.7
    diisopropyl ether 181.09
    tert-amyl alcohol 473.78
    acetylacetone 658.02
    n-hexadecane 46.77
    acetophenone 432.19
    methyl propionate 696.31
    isopentyl acetate 437.56
    trichloroethylene 3940.72
    n-nonanol 185.53
    cyclohexanol 570.08
    benzyl alcohol 431.84
    2-ethylhexanol 253.93
    isooctanol 171.26
    dipropyl ether 357.5
    1,2-dichlorobenzene 820.84
    ethyl lactate 270.16
    propylene carbonate 1031.4
    n-methylformamide 929.34
    2-pentanol 272.37
    n-pentane 84.1
    1-propoxy-2-propanol 381.82
    1-methoxy-2-propyl acetate 386.78
    2-(2-methoxypropoxy) propanol 239.21
    mesitylene 180.67
    ε-caprolactone 1029.61
    p-cymene 174.21
    epichlorohydrin 2036.49
    1,1,1-trichloroethane 2330.04
    2-aminoethanol 356.05
    morpholine-4-carbaldehyde 1011.09
    sulfolane 1423.05
    2,2,4-trimethylpentane 49.38
    2-methyltetrahydrofuran 988.4
    n-hexyl acetate 430.71
    isooctane 38.88
    2-(2-butoxyethoxy)ethanol 361.15
    sec-butyl acetate 302.26
    tert-butyl acetate 405.85
    decalin 105.09
    glycerin 316.65
    diglyme 866.6
    acrylic acid 718.83
    isopropyl myristate 177.09
    n-butyric acid 879.17
    acetyl acetate 706.6
    di(2-ethylhexyl) phthalate 145.42
    ethyl propionate 477.15
    nitromethane 2145.75
    1,2-diethoxyethane 506.81
    benzonitrile 729.85
    trioctyl phosphate 124.23
    1-bromopropane 997.49
    gamma-valerolactone 1448.92
    n-decanol 142.55
    triethyl phosphate 224.81
    4-methyl-2-pentanol 142.77
    propionitrile 926.55
    vinylene carbonate 1104.2
    1,1,2-trichlorotrifluoroethane 1299.92
    DMS 389.19
    cumene 169.36
    2-octanol 154.4
    2-hexanone 434.71
    octyl acetate 226.92
    limonene 242.79
    1,2-dimethoxyethane 1281.5
    ethyl orthosilicate 213.67
    tributyl phosphate 150.13
    diacetone alcohol 368.62
    N,N-dimethylaniline 274.15
    acrylonitrile 1244.59
    aniline 501.93
    1,3-propanediol 523.05
    bromobenzene 946.87
    dibromomethane 2612.01
    1,1,2,2-tetrachloroethane 2860.77
    2-methyl-cyclohexyl acetate 297.87
    tetrabutyl urea 181.02
    diisobutyl methanol 146.65
    2-phenylethanol 357.43
    styrene 352.87
    dioctyl adipate 240.46
    dimethyl sulfate 481.95
    ethyl butyrate 469.2
    methyl lactate 293.84
    butyl lactate 219.42
    diethyl carbonate 392.66
    propanediol butyl ether 252.85
    triethyl orthoformate 313.93
    p-tert-butyltoluene 163.82
    methyl 4-tert-butylbenzoate 308.91
    morpholine 1781.53
    tert-butylamine 387.42
    n-dodecanol 114.72
    dimethoxymethane 795.19
    ethylene carbonate 978.45
    cyrene 301.99
    2-ethoxyethyl acetate 425.9
    2-ethylhexyl acetate 363.98
    1,2,4-trichlorobenzene 844.83
    4-methylpyridine 961.94
    dibutyl ether 285.22
    2,6-dimethyl-4-heptanol 146.65
    DEF 687.46
    dimethyl isosorbide 464.27
    tetrachloroethylene 2136.26
    eugenol 292.49
    triacetin 369.28
    span 80 226.2
    1,4-butanediol 236.24
    1,1-dichloroethane 2099.67
    2-methyl-1-pentanol 261.45
    methyl formate 1036.12
    2-methyl-1-butanol 338.16
    n-decane 64.3
    butyronitrile 873.83
    3,7-dimethyl-1-octanol 181.19
    1-chlorooctane 221.67
    1-chlorotetradecane 94.47
    n-nonane 67.36
    undecane 49.08
    tert-butylcyclohexane 81.84
    cyclooctane 94.08
    cyclopentanol 612.71
    tetrahydropyran 1442.72
    tert-amyl methyl ether 343.18
    2,5,8-trioxanonane 494.42
    1-hexene 219.15
    2-isopropoxyethanol 430.07
    2,2,2-trifluoroethanol 455.38
    methyl butyrate 702.31

    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
Ketaki (India) Pandanus fascicularis Lam., var. Ketaki, fam. Pandanaceae 5.5%