1-Bromo-2-ethylbenzene

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  • Identifiers

    CAS number
    1973-22-4

    Molecular formula
    C8H9Br

    SMILES
    CCC1=CC=CC=C1Br

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 52.08%
    Spicy 41.11%
    Smoky 40.45%
    Herbal 40.32%
    Leathery 39.01%
    Animal 37.82%
    Woody 37.19%
    Burnt 34.36%
    Medicinal 33.46%
    Earthy 33.26%

     

    Flavor
    Meaty 40.1%
    Phenolic 36.93%
    Sulfurous 33.62%
    Medicinal 33.12%
    Fishy 26.2%
    Roasted 25.87%
    Spicy 25.47%
    Creosote 22.81%
    Penetrating 22.81%
    Guaiacol 22.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    4.88 (weak acid)

    Molecular weight
    185.06 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 77.06 ˚C est.

  • Synonyms

    • 1-BROMO-2-ETHYLBENZENE
    • 1973-22-4
    • o-Bromoethylbenzene
    • Benzene, 1-bromo-2-ethyl-
    • 2-Ethylbromobenzene
    • 1-Ethyl-2-bromobenzene
    • 2-Bromo-1-ethylbenzene
    • EINECS 217-823-8
    • MFCD00000077
    • benzene, 1-bromo-2-ethyl
    • DTXSID20173402
    • oBromoethylbenzene
    • 2-bromophenyl ethane
    • Bromo-2-ethylbenzene
    • Benzene, 1bromo2ethyl
    • 1-Bromo-2-ethyl benzene
    • TBE7SE8H6Q
    • SCHEMBL155397
    • 1-Bromo-2-ethylbenzene, 99%
    • DTXCID4095893
    • BR1253
    • AKOS005206892
    • CS-W016966
    • GS-3482
    • AC-11613
    • B1428
    • NS00026413
    • 1-Bromo-2-ethylbenzene, 92%, technical grade
    • EN300-106064
    • 1-Bromo-2-ethylbenzene, puriss., >=98.5% (GC)
    • Z1255457372
    • 217-823-8

  • Applications

    1-Bromo-2-ethylbenzene is primarily used as an organic synthesis intermediate in industrial production, enabling cross-coupling reactions (for example Suzuki, Negishi, or Kumada) to access biaryl compounds. Real-world applications span the pharmaceutical and agrochemical sectors, where it serves as a building block for bioactive scaffolds and aryl-aryl derivatives. It is also employed as a precursor in the synthesis of polymer materials and electronic or liquid-crystal materials, as well as in the manufacture of dyes/pigments and coatings/inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 284.81
    methanol 252.77
    isopropanol 223.32
    water 1.95
    ethyl acetate 651.12
    n-propanol 264.07
    acetone 1003.38
    n-butanol 269.03
    acetonitrile 502.51
    DMF 995.55
    toluene 560.83
    isobutanol 204.8
    1,4-dioxane 1627.34
    methyl acetate 575.27
    THF 1850.75
    2-butanone 682.36
    n-pentanol 253.35
    sec-butanol 212.89
    n-hexane 151.76
    ethylene glycol 85.31
    NMP 1416.41
    cyclohexane 227.97
    DMSO 1258.56
    n-butyl acetate 683.53
    n-octanol 223.41
    chloroform 1342.71
    n-propyl acetate 580.26
    acetic acid 362.09
    dichloromethane 1446.29
    cyclohexanone 1342.98
    propylene glycol 83.39
    isopropyl acetate 472.86
    DMAc 703.25
    2-ethoxyethanol 466.06
    isopentanol 239.95
    n-heptane 161.58
    ethyl formate 412.03
    1,2-dichloroethane 1092.71
    n-hexanol 335.09
    2-methoxyethanol 548.43
    isobutyl acetate 415.35
    tetrachloromethane 486.81
    n-pentyl acetate 476.8
    transcutol 1114.96
    n-heptanol 213.46
    ethylbenzene 337.96
    MIBK 499.22
    2-propoxyethanol 643.79
    tert-butanol 318.07
    MTBE 464.92
    2-butoxyethanol 391.13
    propionic acid 278.21
    o-xylene 341.38
    formic acid 89.37
    diethyl ether 707.32
    m-xylene 426.57
    p-xylene 413.3
    chlorobenzene 722.34
    dimethyl carbonate 376.97
    n-octane 82.97
    formamide 182.49
    cyclopentanone 1569.13
    2-pentanone 697.76
    anisole 654.07
    cyclopentyl methyl ether 943.67
    gamma-butyrolactone 1431.1
    1-methoxy-2-propanol 435.08
    pyridine 930.99
    3-pentanone 565.34
    furfural 1219.71
    n-dodecane 57.22
    diethylene glycol 443.81
    diisopropyl ether 314.21
    tert-amyl alcohol 261.11
    acetylacetone 960.71
    n-hexadecane 67.11
    acetophenone 588.17
    methyl propionate 526.63
    isopentyl acetate 546.61
    trichloroethylene 1663.94
    n-nonanol 213.15
    cyclohexanol 361.1
    benzyl alcohol 376.17
    2-ethylhexanol 293.27
    isooctanol 197.44
    dipropyl ether 504.74
    1,2-dichlorobenzene 692.26
    ethyl lactate 228.21
    propylene carbonate 734.93
    n-methylformamide 395.09
    2-pentanol 219.67
    n-pentane 117.86
    1-propoxy-2-propanol 457.57
    1-methoxy-2-propyl acetate 623.65
    2-(2-methoxypropoxy) propanol 351.71
    mesitylene 340.12
    ε-caprolactone 976.22
    p-cymene 256.7
    epichlorohydrin 1452.69
    1,1,1-trichloroethane 1159.39
    2-aminoethanol 132.15
    morpholine-4-carbaldehyde 1430.21
    sulfolane 1811.88
    2,2,4-trimethylpentane 77.32
    2-methyltetrahydrofuran 1247.86
    n-hexyl acetate 564.54
    isooctane 80.62
    2-(2-butoxyethoxy)ethanol 498.98
    sec-butyl acetate 409.0
    tert-butyl acetate 616.42
    decalin 149.64
    glycerin 137.92
    diglyme 997.33
    acrylic acid 259.73
    isopropyl myristate 280.78
    n-butyric acid 416.64
    acetyl acetate 517.78
    di(2-ethylhexyl) phthalate 232.85
    ethyl propionate 507.15
    nitromethane 844.19
    1,2-diethoxyethane 751.83
    benzonitrile 560.33
    trioctyl phosphate 186.78
    1-bromopropane 631.71
    gamma-valerolactone 1651.42
    n-decanol 172.41
    triethyl phosphate 293.5
    4-methyl-2-pentanol 165.13
    propionitrile 382.02
    vinylene carbonate 704.65
    1,1,2-trichlorotrifluoroethane 665.99
    DMS 531.56
    cumene 242.74
    2-octanol 179.4
    2-hexanone 600.65
    octyl acetate 324.6
    limonene 348.55
    1,2-dimethoxyethane 1006.25
    ethyl orthosilicate 292.99
    tributyl phosphate 223.24
    diacetone alcohol 505.05
    N,N-dimethylaniline 425.33
    acrylonitrile 436.68
    aniline 395.46
    1,3-propanediol 226.05
    bromobenzene 859.31
    dibromomethane 1060.85
    1,1,2,2-tetrachloroethane 1142.98
    2-methyl-cyclohexyl acetate 431.05
    tetrabutyl urea 298.82
    diisobutyl methanol 211.4
    2-phenylethanol 428.32
    styrene 426.01
    dioctyl adipate 339.71
    dimethyl sulfate 606.6
    ethyl butyrate 522.57
    methyl lactate 238.61
    butyl lactate 271.76
    diethyl carbonate 345.89
    propanediol butyl ether 269.04
    triethyl orthoformate 369.7
    p-tert-butyltoluene 263.6
    methyl 4-tert-butylbenzoate 457.73
    morpholine 1193.27
    tert-butylamine 216.8
    n-dodecanol 143.55
    dimethoxymethane 878.28
    ethylene carbonate 621.19
    cyrene 458.18
    2-ethoxyethyl acetate 612.31
    2-ethylhexyl acetate 515.7
    1,2,4-trichlorobenzene 760.74
    4-methylpyridine 876.25
    dibutyl ether 414.44
    2,6-dimethyl-4-heptanol 211.4
    DEF 700.51
    dimethyl isosorbide 810.1
    tetrachloroethylene 892.93
    eugenol 445.22
    triacetin 490.79
    span 80 337.78
    1,4-butanediol 143.54
    1,1-dichloroethane 919.89
    2-methyl-1-pentanol 236.25
    methyl formate 419.82
    2-methyl-1-butanol 216.5
    n-decane 87.28
    butyronitrile 435.34
    3,7-dimethyl-1-octanol 216.4
    1-chlorooctane 260.98
    1-chlorotetradecane 128.04
    n-nonane 91.7
    undecane 68.4
    tert-butylcyclohexane 135.12
    cyclooctane 125.11
    cyclopentanol 417.08
    tetrahydropyran 1156.55
    tert-amyl methyl ether 384.68
    2,5,8-trioxanonane 694.06
    1-hexene 321.9
    2-isopropoxyethanol 386.77
    2,2,2-trifluoroethanol 192.93
    methyl butyrate 611.96

    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