1,4-Diethylbenzene

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  • Identifiers

    CAS number
    105-05-5

    Molecular formula
    C10H14

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

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 40.83%
    Gassy 40.7%
    Herbal 33.77%
    Spicy 31.75%
    Woody 30.42%
    Phenolic 29.43%
    Citrus 28.98%
    Earthy 28.46%
    Green 28.33%
    Fresh 27.2%

     

    Flavor
    Sweet 36.66%
    Gasoline 32.47%
    Citrus 29.36%
    Spicy 27.43%
    Spice 23.34%
    Plastic 22.79%
    Woody 22.59%
    Fresh 21.76%
    Guaiacol 21.6%
    Tar 21.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.32 (weak base)

    Molecular weight
    134.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -42.83 °C

    Boiling point

    • 183.7 °C

    Flash point

    • 57.47 ˚C est.
    • 55 °C
    • 132 °F (55 °C) (Closed cup)

    Solubility expt.

    • Miscible in ethanol, ethyl ether and acetone
    • Soluble in alcohol, benzene, carbon tetrachloride, ether. /Diethylbenzene/
    • In water, 24.8 mg/l @ 25 °C.

  • Synonyms

    • 1,4-DIETHYLBENZENE
    • 105-05-5
    • p-Diethylbenzene
    • Benzene, 1,4-diethyl-
    • p-Ethylethylbenzene
    • Benzene, p-diethyl-
    • para-Diethylbenzene
    • HSDB 4083
    • EINECS 203-265-2
    • UNII-0PSM16X42D
    • 0PSM16X42D
    • DTXSID4026711
    • DIETHYLBENZENE, P-
    • DIETHYLBENZENE, 1,4-
    • DTXCID706711
    • CHEBI:34062
    • EC 203-265-2
    • 1,4-DIETHYLBENZENE [HSDB]
    • 1,4-diethyl-benzene
    • pDiethylbenzene
    • pEthylethylbenzene
    • Benzene, pdiethyl
    • Benzene, 1,4-diethyl-; Benzene, p-diethyl- (8CI); p-Xylene, a,a'-dimethyl- (7CI); 1,4-Diethylbenzene; p-Diethylbenzene; p-Ethylethylbenzene
    • MFCD00009264
    • Benzene, 1,4diethyl
    • 1,4-Diethylbenzene, 96%
    • BIDD:ER0274
    • CHEMBL3187283
    • p-Diethylbenzene 1,4-Diethylbenzene
    • Tox21_200146
    • AKOS009031101
    • FD34260
    • 1,4-Diethylbenzene, analytical standard
    • NCGC00248539-01
    • NCGC00257700-01
    • AS-13583
    • CAS-105-05-5
    • D0479
    • NS00008246
    • EN300-21456
    • 1,4-Diethylbenzene 100 microg/mL in Methanol
    • D88164
    • Q27115785
    • 203-265-2

  • Applications

    1,4-Diethylbenzene is widely used as an aromatic chemical intermediate and building block for downstream products. It can be oxidized or otherwise transformed to para-dicarboxylic acid derivatives such as terephthalic acid, which are essential in polyester and related polymer manufacture. It also serves as a feedstock for the synthesis of dyes and specialty polymers through further substitutions on the para positions. In some contexts, it functions as a non-polar solvent or processing aid in coatings, inks, and adhesive formulations, depending on formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 121.89
    methanol 68.25
    isopropanol 83.9
    water 0.02
    ethyl acetate 638.54
    n-propanol 133.54
    acetone 414.99
    n-butanol 150.21
    acetonitrile 349.25
    DMF 348.86
    toluene 736.33
    isobutanol 92.07
    1,4-dioxane 1002.99
    methyl acetate 399.02
    THF 1356.02
    2-butanone 495.31
    n-pentanol 120.9
    sec-butanol 107.25
    n-hexane 467.66
    ethylene glycol 7.31
    NMP 529.54
    cyclohexane 577.64
    DMSO 255.68
    n-butyl acetate 1396.14
    n-octanol 124.99
    chloroform 1727.29
    n-propyl acetate 482.48
    acetic acid 105.97
    dichloromethane 1955.01
    cyclohexanone 899.04
    propylene glycol 14.33
    isopropyl acetate 387.67
    DMAc 343.78
    2-ethoxyethanol 132.07
    isopentanol 154.07
    n-heptane 497.31
    ethyl formate 240.34
    1,2-dichloroethane 1386.1
    n-hexanol 330.28
    2-methoxyethanol 151.04
    isobutyl acetate 339.64
    tetrachloromethane 477.52
    n-pentyl acetate 403.7
    transcutol 778.03
    n-heptanol 129.48
    ethylbenzene 401.59
    MIBK 301.3
    2-propoxyethanol 324.23
    tert-butanol 171.64
    MTBE 529.74
    2-butoxyethanol 164.01
    propionic acid 112.35
    o-xylene 357.9
    formic acid 10.97
    diethyl ether 950.47
    m-xylene 367.81
    p-xylene 458.67
    chlorobenzene 784.48
    dimethyl carbonate 138.47
    n-octane 134.49
    formamide 30.24
    cyclopentanone 932.25
    2-pentanone 462.64
    anisole 526.42
    cyclopentyl methyl ether 718.57
    gamma-butyrolactone 796.62
    1-methoxy-2-propanol 132.05
    pyridine 1218.82
    3-pentanone 521.15
    furfural 540.6
    n-dodecane 66.55
    diethylene glycol 84.41
    diisopropyl ether 296.4
    tert-amyl alcohol 168.66
    acetylacetone 433.21
    n-hexadecane 80.99
    acetophenone 401.46
    methyl propionate 338.84
    isopentyl acetate 943.76
    trichloroethylene 1889.43
    n-nonanol 130.89
    cyclohexanol 209.09
    benzyl alcohol 171.1
    2-ethylhexanol 370.12
    isooctanol 126.27
    dipropyl ether 1356.86
    1,2-dichlorobenzene 702.93
    ethyl lactate 86.08
    propylene carbonate 503.29
    n-methylformamide 97.43
    2-pentanol 126.46
    n-pentane 218.95
    1-propoxy-2-propanol 332.03
    1-methoxy-2-propyl acetate 554.67
    2-(2-methoxypropoxy) propanol 213.5
    mesitylene 252.46
    ε-caprolactone 674.15
    p-cymene 319.75
    epichlorohydrin 952.3
    1,1,1-trichloroethane 1343.13
    2-aminoethanol 22.62
    morpholine-4-carbaldehyde 460.18
    sulfolane 729.98
    2,2,4-trimethylpentane 92.34
    2-methyltetrahydrofuran 1118.56
    n-hexyl acetate 440.23
    isooctane 74.14
    2-(2-butoxyethoxy)ethanol 267.29
    sec-butyl acetate 330.23
    tert-butyl acetate 442.71
    decalin 215.62
    glycerin 19.52
    diglyme 633.77
    acrylic acid 88.67
    isopropyl myristate 255.6
    n-butyric acid 250.42
    acetyl acetate 385.62
    di(2-ethylhexyl) phthalate 158.92
    ethyl propionate 456.0
    nitromethane 249.21
    1,2-diethoxyethane 1041.11
    benzonitrile 441.56
    trioctyl phosphate 113.9
    1-bromopropane 1176.89
    gamma-valerolactone 693.87
    n-decanol 105.09
    triethyl phosphate 280.13
    4-methyl-2-pentanol 97.46
    propionitrile 405.66
    vinylene carbonate 416.71
    1,1,2-trichlorotrifluoroethane 307.53
    DMS 315.08
    cumene 235.75
    2-octanol 99.47
    2-hexanone 480.95
    octyl acetate 253.86
    limonene 543.61
    1,2-dimethoxyethane 665.77
    ethyl orthosilicate 295.85
    tributyl phosphate 171.26
    diacetone alcohol 219.65
    N,N-dimethylaniline 333.98
    acrylonitrile 343.2
    aniline 319.84
    1,3-propanediol 46.67
    bromobenzene 1067.09
    dibromomethane 1529.97
    1,1,2,2-tetrachloroethane 1410.41
    2-methyl-cyclohexyl acetate 511.96
    tetrabutyl urea 233.75
    diisobutyl methanol 240.0
    2-phenylethanol 279.76
    styrene 538.64
    dioctyl adipate 294.23
    dimethyl sulfate 177.93
    ethyl butyrate 968.0
    methyl lactate 64.06
    butyl lactate 158.17
    diethyl carbonate 534.21
    propanediol butyl ether 82.17
    triethyl orthoformate 562.94
    p-tert-butyltoluene 297.03
    methyl 4-tert-butylbenzoate 290.69
    morpholine 854.02
    tert-butylamine 191.0
    n-dodecanol 90.59
    dimethoxymethane 360.04
    ethylene carbonate 375.75
    cyrene 176.35
    2-ethoxyethyl acetate 435.19
    2-ethylhexyl acetate 950.96
    1,2,4-trichlorobenzene 679.41
    4-methylpyridine 1004.51
    dibutyl ether 677.64
    2,6-dimethyl-4-heptanol 240.0
    DEF 528.38
    dimethyl isosorbide 573.88
    tetrachloroethylene 974.05
    eugenol 215.28
    triacetin 305.31
    span 80 205.77
    1,4-butanediol 18.87
    1,1-dichloroethane 1021.96
    2-methyl-1-pentanol 153.74
    methyl formate 93.76
    2-methyl-1-butanol 138.19
    n-decane 121.36
    butyronitrile 424.59
    3,7-dimethyl-1-octanol 177.06
    1-chlorooctane 312.14
    1-chlorotetradecane 136.03
    n-nonane 135.59
    undecane 84.94
    tert-butylcyclohexane 174.86
    cyclooctane 239.74
    cyclopentanol 167.04
    tetrahydropyran 1277.09
    tert-amyl methyl ether 398.04
    2,5,8-trioxanonane 436.56
    1-hexene 837.69
    2-isopropoxyethanol 120.3
    2,2,2-trifluoroethanol 29.73
    methyl butyrate 543.02

    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