o-Diethoxybenzene

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  • Identifiers

    CAS number
    2050-46-6

    Molecular formula
    C10H14O2

    SMILES
    CCOC1=CC=CC=C1OCC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 78.54%
    Vanilla 67.73%
    Phenolic 60.15%
    Spicy 45.52%
    Smoky 44.01%
    Nutty 43.71%
    Anisic 43.65%
    Creamy 36.39%
    Powdery 36.22%
    Earthy 34.83%

     

    Flavor
    Sweet 68.21%
    Vanilla 45.14%
    Bitter 42.67%
    Musty 39.22%
    Phenolic 36.74%
    Creamy 36.54%
    Fruity 35.97%
    Green 34.85%
    Earthy 33.82%
    Anise 32.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.54 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    231°C

    Flash point

    • 78.82 ˚C est.

  • Synonyms

    • 1,2-DIETHOXYBENZENE
    • 2050-46-6
    • o-Diethoxybenzene
    • Benzene, 1,2-diethoxy-
    • Catechol diethyl ether
    • Benzene, o-diethoxy-
    • o-Diethoxy benzene
    • NSC 6189
    • EINECS 218-089-1
    • P9DM5T78PZ
    • BRN 2046149
    • DTXSID6038798
    • AI3-24177
    • NSC-6189
    • MFCD00015143
    • DTXCID4018798
    • EC 218-089-1
    • 4-06-00-05565 (Beilstein Handbook Reference)
    • Benzene, diethoxy-
    • Pyrocatechol Diethyl Ether
    • UNII-P9DM5T78PZ
    • NSC6189
    • Benzene,2-diethoxy-
    • SCHEMBL578986
    • CHEMBL2252466
    • Tox21_302095
    • AC7914
    • AKOS000120622
    • FC71276
    • NCGC00255490-01
    • DS-17939
    • SY047589
    • CAS-2050-46-6
    • DB-045249
    • CS-0151454
    • D0452
    • NS00005237
    • EN300-16152
    • Pyrocatechol diethyl ether;1,2-Diethoxybenzene
    • Q27286413
    • InChI=1/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H
    • 218-089-1

  • Applications

    o-Diethoxybenzene (CAS 2050-46-6) is primarily used as an organic intermediate in chemical synthesis. In industry, it is commonly evaluated as a building block for fragrance and flavor compound synthesis, providing aryl ether motifs in aroma chemicals. It also serves as an intermediate in the production of dyes and pigments, and as a precursor in polymer and plastic resin manufacturing for specialty materials. In coatings and inks, it can be used as a synthetic intermediate for functional additives or crosslinking agents. Additionally, it may be used as a solvent or reaction medium in certain synthetic routes, and as a research and development chemical for process development. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 384.61
    methanol 404.87
    isopropanol 308.79
    water 1.36
    ethyl acetate 1089.5
    n-propanol 349.52
    acetone 1397.41
    n-butanol 340.05
    acetonitrile 1153.78
    DMF 1402.11
    toluene 605.48
    isobutanol 295.17
    1,4-dioxane 1431.13
    methyl acetate 1118.0
    THF 1508.14
    2-butanone 899.91
    n-pentanol 287.71
    sec-butanol 321.51
    n-hexane 269.98
    ethylene glycol 153.78
    NMP 1456.74
    cyclohexane 710.09
    DMSO 1395.17
    n-butyl acetate 980.87
    n-octanol 328.11
    chloroform 5196.28
    n-propyl acetate 819.34
    acetic acid 904.74
    dichloromethane 6017.86
    cyclohexanone 1758.48
    propylene glycol 135.42
    isopropyl acetate 570.27
    DMAc 1145.39
    2-ethoxyethanol 455.5
    isopentanol 277.3
    n-heptane 293.83
    ethyl formate 921.53
    1,2-dichloroethane 3190.03
    n-hexanol 379.18
    2-methoxyethanol 649.12
    isobutyl acetate 460.52
    tetrachloromethane 1226.33
    n-pentyl acetate 573.79
    transcutol 828.87
    n-heptanol 229.95
    ethylbenzene 457.87
    MIBK 370.85
    2-propoxyethanol 511.79
    tert-butanol 409.88
    MTBE 476.35
    2-butoxyethanol 338.19
    propionic acid 633.59
    o-xylene 429.2
    formic acid 200.3
    diethyl ether 706.1
    m-xylene 382.58
    p-xylene 658.32
    chlorobenzene 1390.38
    dimethyl carbonate 567.86
    n-octane 142.77
    formamide 386.59
    cyclopentanone 1722.3
    2-pentanone 701.32
    anisole 716.95
    cyclopentyl methyl ether 801.22
    gamma-butyrolactone 2057.67
    1-methoxy-2-propanol 416.29
    pyridine 1654.3
    3-pentanone 767.73
    furfural 1794.4
    n-dodecane 103.45
    diethylene glycol 364.84
    diisopropyl ether 230.16
    tert-amyl alcohol 364.94
    acetylacetone 967.56
    n-hexadecane 118.94
    acetophenone 716.52
    methyl propionate 900.72
    isopentyl acetate 679.48
    trichloroethylene 5055.51
    n-nonanol 289.16
    cyclohexanol 608.56
    benzyl alcohol 478.37
    2-ethylhexanol 351.8
    isooctanol 196.58
    dipropyl ether 620.99
    1,2-dichlorobenzene 1446.14
    ethyl lactate 347.05
    propylene carbonate 1423.36
    n-methylformamide 699.91
    2-pentanol 249.83
    n-pentane 200.41
    1-propoxy-2-propanol 412.04
    1-methoxy-2-propyl acetate 602.3
    2-(2-methoxypropoxy) propanol 341.29
    mesitylene 297.63
    ε-caprolactone 1339.16
    p-cymene 336.66
    epichlorohydrin 2108.79
    1,1,1-trichloroethane 2863.85
    2-aminoethanol 203.63
    morpholine-4-carbaldehyde 1159.02
    sulfolane 2335.64
    2,2,4-trimethylpentane 101.18
    2-methyltetrahydrofuran 1115.63
    n-hexyl acetate 792.86
    isooctane 68.03
    2-(2-butoxyethoxy)ethanol 409.8
    sec-butyl acetate 448.75
    tert-butyl acetate 502.25
    decalin 251.68
    glycerin 202.23
    diglyme 1015.87
    acrylic acid 659.3
    isopropyl myristate 336.17
    n-butyric acid 758.82
    acetyl acetate 886.82
    di(2-ethylhexyl) phthalate 262.88
    ethyl propionate 759.16
    nitromethane 1704.27
    1,2-diethoxyethane 665.32
    benzonitrile 955.77
    trioctyl phosphate 219.57
    1-bromopropane 1427.51
    gamma-valerolactone 1591.13
    n-decanol 221.39
    triethyl phosphate 432.65
    4-methyl-2-pentanol 144.59
    propionitrile 809.73
    vinylene carbonate 1477.17
    1,1,2-trichlorotrifluoroethane 1333.23
    DMS 716.14
    cumene 309.12
    2-octanol 217.94
    2-hexanone 618.59
    octyl acetate 420.32
    limonene 478.27
    1,2-dimethoxyethane 1154.57
    ethyl orthosilicate 376.35
    tributyl phosphate 294.99
    diacetone alcohol 386.44
    N,N-dimethylaniline 473.56
    acrylonitrile 1065.88
    aniline 574.76
    1,3-propanediol 287.64
    bromobenzene 1765.49
    dibromomethane 3695.68
    1,1,2,2-tetrachloroethane 3984.06
    2-methyl-cyclohexyl acetate 551.34
    tetrabutyl urea 373.54
    diisobutyl methanol 215.36
    2-phenylethanol 447.86
    styrene 661.01
    dioctyl adipate 495.49
    dimethyl sulfate 831.82
    ethyl butyrate 832.18
    methyl lactate 351.97
    butyl lactate 354.43
    diethyl carbonate 732.91
    propanediol butyl ether 266.56
    triethyl orthoformate 542.92
    p-tert-butyltoluene 303.89
    methyl 4-tert-butylbenzoate 484.65
    morpholine 1200.39
    tert-butylamine 335.01
    n-dodecanol 185.79
    dimethoxymethane 858.12
    ethylene carbonate 1227.09
    cyrene 400.39
    2-ethoxyethyl acetate 605.17
    2-ethylhexyl acetate 618.43
    1,2,4-trichlorobenzene 1480.62
    4-methylpyridine 1346.37
    dibutyl ether 569.12
    2,6-dimethyl-4-heptanol 215.36
    DEF 944.9
    dimethyl isosorbide 698.88
    tetrachloroethylene 2997.25
    eugenol 433.01
    triacetin 636.38
    span 80 349.62
    1,4-butanediol 167.74
    1,1-dichloroethane 2637.84
    2-methyl-1-pentanol 261.56
    methyl formate 841.62
    2-methyl-1-butanol 287.52
    n-decane 164.92
    butyronitrile 754.06
    3,7-dimethyl-1-octanol 282.11
    1-chlorooctane 481.81
    1-chlorotetradecane 204.89
    n-nonane 184.05
    undecane 124.05
    tert-butylcyclohexane 180.9
    cyclooctane 240.4
    cyclopentanol 652.46
    tetrahydropyran 1318.39
    tert-amyl methyl ether 394.21
    2,5,8-trioxanonane 650.92
    1-hexene 482.14
    2-isopropoxyethanol 322.54
    2,2,2-trifluoroethanol 378.67
    methyl butyrate 1057.25

    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