1,4-Diethoxybenzene

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  • Identifiers

    CAS number
    122-95-2

    Molecular formula
    C10H14O2

    SMILES
    CCOC1=CC=C(C=C1)OCC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 81.98%
    Phenolic 56.31%
    Anisic 56.3%
    Nutty 53.96%
    Vanilla 51.65%
    Aromatic 38.88%
    Earthy 36.68%
    Spicy 34.15%
    Smoky 33.69%
    Powdery 31.59%

     

    Flavor
    Sweet 58.78%
    Bitter 53.43%
    Fruity 43.3%
    Green 42.11%
    Vanilla 38.33%
    Musty 32.31%
    Floral 32.28%
    Anise 31.76%
    Balsam 31.69%
    Creamy 30.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.73 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 88.81 ˚C est.

  • Synonyms

    • 1,4-Diethoxybenzene
    • Benzene, 1,4-diethoxy-
    • p-Diethoxybenzene
    • Hydroquinone diethyl ether
    • Benzene, p-diethoxy-
    • NSC-2113
    • C6Y51501JB
    • NSC 2113
    • EINECS 204-585-5
    • NSC-68808
    • DIETHOXYBENZENE, P-
    • 1,4-DIETHYLOXYBENZENE
    • UNII-C6Y51501JB
    • AI3-09458
    • DTXSID9059549
    • RefChem:73247
    • Benzene, p-diethoxy-(8CI)
    • DTXCID2033736
    • 204-585-5
    • InChI=1/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H
    • VWGNFIQXBYRDCH-UHFFFAOYSA-N
    • 122-95-2
    • diethoxybenzene
    • MFCD00015146
    • CHEMBL219898
    • Benzene,4-diethoxy-
    • NSC2113
    • 1,4-diethoxy-benzene
    • 1 pound not4-Diethoxybenzene
    • SCHEMBL124015
    • SCHEMBL220772
    • SCHEMBL2212155
    • SCHEMBL4707838
    • SCHEMBL9664138
    • SCHEMBL23726433
    • NSC68808
    • BDBM50195871
    • SBB060362
    • AKOS008948257
    • FH70387
    • PS-4039
    • SY057055
    • DB-041698
    • CS-0105156
    • D0535
    • NS00024004
    • ST50406047
    • D76500
    • F226546
    • Q63395501
    • F0001-0360
    • 122-95-2

  • Applications

    1,4-Diethoxybenzene (CAS 122-95-2) is primarily used as an organic synthesis intermediate and building block in specialty chemicals. In fragrance and flavor chemistry, it serves as a precursor to aroma compounds and related intermediates. It is also employed as a dye/pigment intermediate and as a reactive building block in polymers and coatings formulations. In cosmetics and personal care, it may be evaluated as a niche precursor for fragrance ingredients or cosmetic intermediates. In industrial manufacturing, it can function as a reactive intermediate for specialty resins and coating systems. Its use is formulation- and regulation-dependent, and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.86
    methanol 35.76
    isopropanol 37.57
    water 0.2
    ethyl acetate 356.7
    n-propanol 45.71
    acetone 390.87
    n-butanol 53.76
    acetonitrile 279.04
    DMF 573.84
    toluene 177.16
    isobutanol 44.36
    1,4-dioxane 422.82
    methyl acetate 377.41
    THF 681.64
    2-butanone 375.58
    n-pentanol 53.24
    sec-butanol 50.75
    n-hexane 65.45
    ethylene glycol 23.39
    NMP 1130.09
    cyclohexane 76.46
    DMSO 1103.59
    n-butyl acetate 404.62
    n-octanol 53.49
    chloroform 1490.3
    n-propyl acetate 294.81
    acetic acid 190.27
    dichloromethane 1815.64
    cyclohexanone 572.61
    propylene glycol 25.61
    isopropyl acetate 226.5
    DMAc 853.58
    2-ethoxyethanol 146.13
    isopentanol 67.06
    n-heptane 37.56
    ethyl formate 180.38
    1,2-dichloroethane 1139.81
    n-hexanol 72.0
    2-methoxyethanol 165.33
    isobutyl acetate 183.33
    tetrachloromethane 249.81
    n-pentyl acetate 176.92
    transcutol 961.49
    n-heptanol 36.9
    ethylbenzene 142.87
    MIBK 173.33
    2-propoxyethanol 187.57
    tert-butanol 84.84
    MTBE 217.72
    2-butoxyethanol 98.24
    propionic acid 138.23
    o-xylene 156.43
    formic acid 58.34
    diethyl ether 212.72
    m-xylene 131.09
    p-xylene 190.67
    chlorobenzene 450.16
    dimethyl carbonate 229.71
    n-octane 15.24
    formamide 147.0
    cyclopentanone 873.1
    2-pentanone 272.22
    anisole 372.24
    cyclopentyl methyl ether 356.47
    gamma-butyrolactone 1052.89
    1-methoxy-2-propanol 137.4
    pyridine 468.02
    3-pentanone 355.76
    furfural 961.26
    n-dodecane 13.28
    diethylene glycol 137.17
    diisopropyl ether 99.07
    tert-amyl alcohol 100.23
    acetylacetone 550.72
    n-hexadecane 15.92
    acetophenone 391.03
    methyl propionate 316.99
    isopentyl acetate 358.93
    trichloroethylene 2151.8
    n-nonanol 51.98
    cyclohexanol 98.16
    benzyl alcohol 139.04
    2-ethylhexanol 91.57
    isooctanol 38.49
    dipropyl ether 199.68
    1,2-dichlorobenzene 620.72
    ethyl lactate 124.55
    propylene carbonate 544.04
    n-methylformamide 181.18
    2-pentanol 49.21
    n-pentane 29.68
    1-propoxy-2-propanol 163.9
    1-methoxy-2-propyl acetate 403.41
    2-(2-methoxypropoxy) propanol 243.95
    mesitylene 102.94
    ε-caprolactone 515.02
    p-cymene 116.39
    epichlorohydrin 1160.96
    1,1,1-trichloroethane 978.95
    2-aminoethanol 36.6
    morpholine-4-carbaldehyde 787.62
    sulfolane 1811.2
    2,2,4-trimethylpentane 30.11
    2-methyltetrahydrofuran 463.43
    n-hexyl acetate 260.57
    isooctane 18.68
    2-(2-butoxyethoxy)ethanol 230.68
    sec-butyl acetate 211.41
    tert-butyl acetate 296.4
    decalin 75.36
    glycerin 64.5
    diglyme 614.26
    acrylic acid 177.17
    isopropyl myristate 130.97
    n-butyric acid 168.71
    acetyl acetate 413.08
    di(2-ethylhexyl) phthalate 127.85
    ethyl propionate 315.97
    nitromethane 768.8
    1,2-diethoxyethane 406.55
    benzonitrile 299.89
    trioctyl phosphate 79.41
    1-bromopropane 406.61
    gamma-valerolactone 876.83
    n-decanol 41.55
    triethyl phosphate 241.15
    4-methyl-2-pentanol 40.56
    propionitrile 181.77
    vinylene carbonate 496.8
    1,1,2-trichlorotrifluoroethane 767.16
    DMS 501.37
    cumene 104.95
    2-octanol 33.63
    2-hexanone 269.96
    octyl acetate 144.69
    limonene 169.03
    1,2-dimethoxyethane 475.71
    ethyl orthosilicate 203.61
    tributyl phosphate 153.59
    diacetone alcohol 209.3
    N,N-dimethylaniline 255.36
    acrylonitrile 279.37
    aniline 170.06
    1,3-propanediol 52.89
    bromobenzene 657.61
    dibromomethane 1082.31
    1,1,2,2-tetrachloroethane 1695.48
    2-methyl-cyclohexyl acetate 290.91
    tetrabutyl urea 199.34
    diisobutyl methanol 67.87
    2-phenylethanol 154.45
    styrene 207.37
    dioctyl adipate 244.42
    dimethyl sulfate 640.39
    ethyl butyrate 336.61
    methyl lactate 138.87
    butyl lactate 141.81
    diethyl carbonate 308.73
    propanediol butyl ether 98.66
    triethyl orthoformate 257.93
    p-tert-butyltoluene 111.66
    methyl 4-tert-butylbenzoate 273.48
    morpholine 370.84
    tert-butylamine 69.79
    n-dodecanol 35.84
    dimethoxymethane 303.63
    ethylene carbonate 386.13
    cyrene 264.97
    2-ethoxyethyl acetate 308.2
    2-ethylhexyl acetate 347.42
    1,2,4-trichlorobenzene 720.43
    4-methylpyridine 450.74
    dibutyl ether 186.86
    2,6-dimethyl-4-heptanol 67.87
    DEF 442.44
    dimethyl isosorbide 593.45
    tetrachloroethylene 902.95
    eugenol 216.9
    triacetin 409.48
    span 80 162.21
    1,4-butanediol 32.74
    1,1-dichloroethane 710.05
    2-methyl-1-pentanol 75.56
    methyl formate 181.48
    2-methyl-1-butanol 67.35
    n-decane 21.03
    butyronitrile 157.08
    3,7-dimethyl-1-octanol 79.4
    1-chlorooctane 95.11
    1-chlorotetradecane 45.53
    n-nonane 20.74
    undecane 15.99
    tert-butylcyclohexane 60.39
    cyclooctane 39.09
    cyclopentanol 108.82
    tetrahydropyran 304.05
    tert-amyl methyl ether 213.29
    2,5,8-trioxanonane 456.64
    1-hexene 122.04
    2-isopropoxyethanol 122.8
    2,2,2-trifluoroethanol 144.93
    methyl butyrate 372.7

    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