1,3-Diethylbenzene

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  • Identifiers

    CAS number
    141-93-5

    Molecular formula
    C10H14

    SMILES
    CCC1=CC(=CC=C1)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Herbal 41.45%
    Green 39.78%
    Spicy 38.17%
    Woody 37.43%
    Earthy 37.3%
    Sweet 35.38%
    Phenolic 32.98%
    Gassy 29.74%
    Burnt 29.11%
    Musty 28.21%

     

    Flavor
    Spicy 30.85%
    Citrus 29.19%
    Woody 27.77%
    Gasoline 26.62%
    Sweet 26.24%
    Spice 25.6%
    Earthy 24.43%
    Plastic 23.73%
    Guaiacol 21.24%
    Fresh 20.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.28 (weak base)

    Molecular weight
    134.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -83.9 °C

    Boiling point

    • 181.1 °C

    Flash point

    • 55.63 ˚C est.
    • 56 °C

    Solubility expt.

    • Miscible in ethanol, ethyl ether and acetone
    • Soluble in alcohol, benzene, carbon tetrachloride, ether; insoluble in water. /Diethylbenzene/
    • In water, 24.0 mg/l @ 25 °C

  • Synonyms

    • 1,3-DIETHYLBENZENE
    • 141-93-5
    • m-Diethylbenzene
    • Benzene, 1,3-diethyl-
    • Benzene, m-diethyl-
    • Diethylbenzene, m-
    • HSDB 4082
    • UNII-ZM2X7I1G8Y
    • EINECS 205-511-4
    • meta-Diethylbenzene
    • ZM2X7I1G8Y
    • NSC 62102
    • BRN 1903394
    • 1,3-diethyl-benzene
    • DTXSID1022003
    • NSC-62102
    • 1,3-Diethylbenzene--d4
    • DTXCID402003
    • 1,3-DIETHYLBENZENE [HSDB]
    • 4-05-00-01066 (Beilstein Handbook Reference)
    • mDiethylbenzene
    • Benzene, mdiethyl
    • Benzene,3-diethyl-
    • MFCD00009260
    • Benzene, 1,3diethyl
    • WLN: 2R C2
    • NSC62102
    • EINECS 271-527-3
    • Tox21_303896
    • AKOS015964280
    • NCGC00356969-01
    • 1,3-Diethylbenzene, >=98.0% (GC)
    • AC-18367
    • CAS-141-93-5
    • LS-13803
    • DB-042592
    • D0478
    • NS00007714
    • 1,3-Diethylbenzene 100 microg/mL in Methanol
    • A10815
    • A807834
    • Q24816743

  • Applications

    1,3-Diethylbenzene (CAS 141-93-5) is primarily used as an industrial chemical intermediate and aromatic hydrocarbon feedstock; it serves in the synthesis of other aromatic compounds, including dyes and specialty chemicals. It also functions as a non-polar solvent or processing aid in coatings, inks, and cleaning formulations, and may be employed as a feedstock or precursor in the production of polymers and plastics. In addition, it is encountered in industrial research and formulation work where it is used for reaction solvents and as a reference material in process development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 463.75
    methanol 177.05
    isopropanol 462.8
    water 0.03
    ethyl acetate 1275.35
    n-propanol 528.56
    acetone 1434.77
    n-butanol 605.6
    acetonitrile 1084.23
    DMF 1079.25
    toluene 1254.13
    isobutanol 432.96
    1,4-dioxane 2294.45
    methyl acetate 1081.87
    THF 2942.81
    2-butanone 1452.11
    n-pentanol 406.28
    sec-butanol 503.56
    n-hexane 966.72
    ethylene glycol 31.4
    NMP 1162.11
    cyclohexane 1201.99
    DMSO 900.65
    n-butyl acetate 3222.25
    n-octanol 558.46
    chloroform 3087.79
    n-propyl acetate 1028.04
    acetic acid 256.45
    dichloromethane 3875.81
    cyclohexanone 2388.86
    propylene glycol 59.34
    isopropyl acetate 715.75
    DMAc 736.43
    2-ethoxyethanol 322.0
    isopentanol 500.31
    n-heptane 1543.59
    ethyl formate 773.5
    1,2-dichloroethane 2657.43
    n-hexanol 1271.56
    2-methoxyethanol 452.79
    isobutyl acetate 655.85
    tetrachloromethane 864.09
    n-pentyl acetate 920.71
    transcutol 1181.36
    n-heptanol 497.97
    ethylbenzene 732.41
    MIBK 704.19
    2-propoxyethanol 924.53
    tert-butanol 598.49
    MTBE 1162.09
    2-butoxyethanol 444.73
    propionic acid 337.7
    o-xylene 609.39
    formic acid 19.41
    diethyl ether 1827.84
    m-xylene 709.7
    p-xylene 814.65
    chlorobenzene 1416.67
    dimethyl carbonate 316.21
    n-octane 446.27
    formamide 61.45
    cyclopentanone 2282.25
    2-pentanone 1256.72
    anisole 866.43
    cyclopentyl methyl ether 1581.58
    gamma-butyrolactone 1903.84
    1-methoxy-2-propanol 411.15
    pyridine 2038.74
    3-pentanone 1104.44
    furfural 1053.49
    n-dodecane 246.67
    diethylene glycol 246.7
    diisopropyl ether 582.06
    tert-amyl alcohol 518.57
    acetylacetone 955.47
    n-hexadecane 288.1
    acetophenone 653.34
    methyl propionate 857.23
    isopentyl acetate 1932.82
    trichloroethylene 3483.83
    n-nonanol 470.11
    cyclohexanol 801.24
    benzyl alcohol 344.19
    2-ethylhexanol 1160.8
    isooctanol 398.96
    dipropyl ether 2897.99
    1,2-dichlorobenzene 1168.38
    ethyl lactate 217.11
    propylene carbonate 1165.78
    n-methylformamide 359.42
    2-pentanol 483.85
    n-pentane 600.88
    1-propoxy-2-propanol 929.4
    1-methoxy-2-propyl acetate 1040.47
    2-(2-methoxypropoxy) propanol 422.09
    mesitylene 490.6
    ε-caprolactone 1576.93
    p-cymene 681.77
    epichlorohydrin 2275.61
    1,1,1-trichloroethane 2455.14
    2-aminoethanol 79.05
    morpholine-4-carbaldehyde 989.04
    sulfolane 1665.27
    2,2,4-trimethylpentane 194.09
    2-methyltetrahydrofuran 2452.75
    n-hexyl acetate 1178.6
    isooctane 185.61
    2-(2-butoxyethoxy)ethanol 572.83
    sec-butyl acetate 582.56
    tert-butyl acetate 755.31
    decalin 424.46
    glycerin 65.42
    diglyme 1246.37
    acrylic acid 216.15
    isopropyl myristate 578.06
    n-butyric acid 661.42
    acetyl acetate 599.17
    di(2-ethylhexyl) phthalate 310.61
    ethyl propionate 852.68
    nitromethane 608.03
    1,2-diethoxyethane 1732.85
    benzonitrile 870.85
    trioctyl phosphate 288.3
    1-bromopropane 2367.81
    gamma-valerolactone 1690.98
    n-decanol 375.14
    triethyl phosphate 452.09
    4-methyl-2-pentanol 266.42
    propionitrile 1100.51
    vinylene carbonate 926.77
    1,1,2-trichlorotrifluoroethane 586.24
    DMS 599.75
    cumene 456.96
    2-octanol 394.43
    2-hexanone 1169.46
    octyl acetate 652.61
    limonene 1221.47
    1,2-dimethoxyethane 1351.91
    ethyl orthosilicate 459.83
    tributyl phosphate 375.65
    diacetone alcohol 504.65
    N,N-dimethylaniline 558.53
    acrylonitrile 918.34
    aniline 618.9
    1,3-propanediol 172.04
    bromobenzene 1952.44
    dibromomethane 3182.86
    1,1,2,2-tetrachloroethane 2459.54
    2-methyl-cyclohexyl acetate 837.44
    tetrabutyl urea 547.0
    diisobutyl methanol 565.13
    2-phenylethanol 617.06
    styrene 939.07
    dioctyl adipate 617.92
    dimethyl sulfate 389.57
    ethyl butyrate 1778.49
    methyl lactate 183.15
    butyl lactate 378.63
    diethyl carbonate 877.26
    propanediol butyl ether 295.57
    triethyl orthoformate 922.66
    p-tert-butyltoluene 601.41
    methyl 4-tert-butylbenzoate 564.39
    morpholine 1995.02
    tert-butylamine 527.16
    n-dodecanol 321.64
    dimethoxymethane 930.25
    ethylene carbonate 920.52
    cyrene 335.43
    2-ethoxyethyl acetate 839.25
    2-ethylhexyl acetate 1790.01
    1,2,4-trichlorobenzene 1099.42
    4-methylpyridine 1857.25
    dibutyl ether 1679.17
    2,6-dimethyl-4-heptanol 565.13
    DEF 1155.13
    dimethyl isosorbide 914.06
    tetrachloroethylene 1558.98
    eugenol 405.57
    triacetin 584.35
    span 80 433.95
    1,4-butanediol 76.01
    1,1-dichloroethane 2434.55
    2-methyl-1-pentanol 384.06
    methyl formate 351.17
    2-methyl-1-butanol 482.95
    n-decane 421.3
    butyronitrile 1376.96
    3,7-dimethyl-1-octanol 495.99
    1-chlorooctane 972.37
    1-chlorotetradecane 397.94
    n-nonane 508.28
    undecane 310.37
    tert-butylcyclohexane 374.38
    cyclooctane 530.27
    cyclopentanol 720.36
    tetrahydropyran 3121.66
    tert-amyl methyl ether 801.41
    2,5,8-trioxanonane 765.4
    1-hexene 1831.68
    2-isopropoxyethanol 299.47
    2,2,2-trifluoroethanol 72.39
    methyl butyrate 1191.87

    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