Benzene, 1-ethyl-4-(1-methylethyl)-

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  • Identifiers

    CAS number
    4218-48-8

    Molecular formula
    C11H16

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

  • Odor profile

    Herbal 58.26%
    Spicy 56.75%
    Woody 49.98%
    Fresh 42.94%
    Citrus 42.43%
    Green 40.47%
    Terpenic 38.65%
    Earthy 34.7%
    Phenolic 33.4%
    Sweet 30.36%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.69 (weak base)

    Molecular weight
    148.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    193°C

    Flash point est.
    71.13 ˚C

  • Synonyms

    • 4218-48-8
    • 1-Ethyl-4-isopropylbenzene
    • 1-ethyl-4-iso-propylbenzene
    • Benzene, 1-ethyl-4-(1-methylethyl)-
    • p-Ethylcumene
    • 1-ethyl-4-propan-2-ylbenzene
    • Cumene, p-ethyl-
    • MFCD00061006
    • 1-Ethyl-4-(prop-2-yl)benzene
    • DTXSID00195001
    • GUUDUUDWUWUTPD-UHFFFAOYSA-N
    • 1-ethyl-4-(1-methyl-ethyl)-benzene
    • AKOS006272666
    • E1406

  • Applications

    Benzene, 1-ethyl-4-(1-methylethyl)- (CAS 4218-48-8), also known as 4-ethylisopropylbenzene or p-ethylcumene, is a mid-boiling aromatic alkylbenzene selected for specialty solvent roles in coatings, inks, and adhesive systems; used as a carrier/diluent for lubricant and surface-treatment additives; and employed as an intermediate to make para-alkylphenols (e.g., p-ethylphenol) via a cumene-type oxidation route, which then feed phenolic resins, antioxidants, and certain specialty surfactants; its hydroperoxide derivatives can be used or studied as polymerization initiators and controlled oxidants; moreover, owing to its stable physicochemical profile and representativeness of the alkylbenzene class, it is often used as an analytical reference/calibration standard and as a model compound in studies of oxidation kinetics, combustion, and environmental fate of aromatics, and is occasionally considered as a high-octane blending component in research on aromatic-rich fuel formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 629.84
    methanol 369.9
    isopropanol 395.12
    water 0.03
    ethyl acetate 1874.37
    n-propanol 624.32
    acetone 1128.27
    n-butanol 724.92
    acetonitrile 1042.06
    DMF 676.18
    toluene 1671.34
    isobutanol 395.31
    1,4-dioxane 2959.23
    methyl acetate 1048.78
    THF 3246.93
    2-butanone 1328.51
    n-pentanol 498.12
    sec-butanol 451.33
    n-hexane 1376.54
    ethylene glycol 23.13
    NMP 644.01
    cyclohexane 1415.79
    DMSO 469.41
    n-butyl acetate 3482.4
    n-octanol 284.49
    chloroform 2841.39
    n-propyl acetate 1077.77
    acetic acid 251.94
    dichloromethane 3028.53
    cyclohexanone 1861.56
    propylene glycol 44.93
    isopropyl acetate 1055.89
    DMAc 572.85
    2-ethoxyethanol 439.18
    isopentanol 623.95
    n-heptane 941.64
    ethyl formate 539.35
    1,2-dichloroethane 2504.71
    n-hexanol 1256.85
    2-methoxyethanol 575.26
    isobutyl acetate 718.9
    tetrachloromethane 705.35
    n-pentyl acetate 756.84
    transcutol 2294.33
    n-heptanol 313.83
    ethylbenzene 731.47
    MIBK 761.25
    2-propoxyethanol 1158.44
    tert-butanol 627.73
    MTBE 2173.28
    2-butoxyethanol 428.65
    propionic acid 272.0
    o-xylene 591.73
    formic acid 30.91
    diethyl ether 3953.91
    m-xylene 763.47
    p-xylene 781.32
    chlorobenzene 1289.68
    dimethyl carbonate 229.57
    n-octane 223.6
    formamide 79.59
    cyclopentanone 1425.86
    2-pentanone 1356.93
    anisole 1025.01
    cyclopentyl methyl ether 1751.78
    gamma-butyrolactone 1087.26
    1-methoxy-2-propanol 424.49
    pyridine 2466.18
    3-pentanone 1255.31
    furfural 740.22
    n-dodecane 94.03
    diethylene glycol 270.96
    diisopropyl ether 1028.91
    tert-amyl alcohol 598.29
    acetylacetone 877.75
    n-hexadecane 115.54
    acetophenone 588.52
    methyl propionate 854.4
    isopentyl acetate 2400.59
    trichloroethylene 2859.42
    n-nonanol 287.85
    cyclohexanol 653.24
    benzyl alcohol 351.89
    2-ethylhexanol 1043.15
    isooctanol 277.84
    dipropyl ether 3469.71
    1,2-dichlorobenzene 915.07
    ethyl lactate 155.05
    propylene carbonate 703.43
    n-methylformamide 249.6
    2-pentanol 522.32
    n-pentane 722.64
    1-propoxy-2-propanol 972.58
    1-methoxy-2-propyl acetate 1416.64
    2-(2-methoxypropoxy) propanol 446.0
    mesitylene 457.51
    ε-caprolactone 1282.3
    p-cymene 508.93
    epichlorohydrin 1736.36
    1,1,1-trichloroethane 1987.69
    2-aminoethanol 82.12
    morpholine-4-carbaldehyde 883.08
    sulfolane 863.7
    2,2,4-trimethylpentane 234.9
    2-methyltetrahydrofuran 2759.13
    n-hexyl acetate 913.47
    isooctane 207.33
    2-(2-butoxyethoxy)ethanol 623.12
    sec-butyl acetate 764.56
    tert-butyl acetate 1095.67
    decalin 405.03
    glycerin 55.25
    diglyme 1465.13
    acrylic acid 164.93
    isopropyl myristate 404.17
    n-butyric acid 758.25
    acetyl acetate 785.5
    di(2-ethylhexyl) phthalate 252.77
    ethyl propionate 949.48
    nitromethane 504.11
    1,2-diethoxyethane 2988.36
    benzonitrile 713.27
    trioctyl phosphate 184.21
    1-bromopropane 2440.55
    gamma-valerolactone 1354.48
    n-decanol 219.25
    triethyl phosphate 401.43
    4-methyl-2-pentanol 321.55
    propionitrile 1103.7
    vinylene carbonate 576.05
    1,1,2-trichlorotrifluoroethane 507.77
    DMS 519.61
    cumene 386.76
    2-octanol 205.96
    2-hexanone 1159.63
    octyl acetate 428.36
    limonene 953.5
    1,2-dimethoxyethane 1767.61
    ethyl orthosilicate 487.07
    tributyl phosphate 273.84
    diacetone alcohol 508.13
    N,N-dimethylaniline 521.36
    acrylonitrile 783.4
    aniline 778.86
    1,3-propanediol 200.64
    bromobenzene 1634.04
    dibromomethane 2493.03
    1,1,2,2-tetrachloroethane 2113.18
    2-methyl-cyclohexyl acetate 907.04
    tetrabutyl urea 341.46
    diisobutyl methanol 518.51
    2-phenylethanol 686.92
    styrene 980.88
    dioctyl adipate 468.13
    dimethyl sulfate 226.2
    ethyl butyrate 1973.43
    methyl lactate 120.87
    butyl lactate 278.59
    diethyl carbonate 941.28
    propanediol butyl ether 189.35
    triethyl orthoformate 1132.95
    p-tert-butyltoluene 494.4
    methyl 4-tert-butylbenzoate 407.8
    morpholine 2732.47
    tert-butylamine 695.72
    n-dodecanol 179.15
    dimethoxymethane 937.5
    ethylene carbonate 579.79
    cyrene 267.9
    2-ethoxyethyl acetate 911.09
    2-ethylhexyl acetate 2268.33
    1,2,4-trichlorobenzene 915.95
    4-methylpyridine 2239.68
    dibutyl ether 1596.34
    2,6-dimethyl-4-heptanol 518.51
    DEF 1258.04
    dimethyl isosorbide 973.29
    tetrachloroethylene 1438.64
    eugenol 328.16
    triacetin 481.54
    span 80 401.63
    1,4-butanediol 61.41
    1,1-dichloroethane 1908.87
    2-methyl-1-pentanol 544.6
    methyl formate 185.69
    2-methyl-1-butanol 567.97
    n-decane 191.01
    butyronitrile 1401.25
    3,7-dimethyl-1-octanol 393.53
    1-chlorooctane 541.07
    1-chlorotetradecane 205.3
    n-nonane 216.76
    undecane 126.84
    tert-butylcyclohexane 352.29
    cyclooctane 523.49
    cyclopentanol 419.43
    tetrahydropyran 4136.53
    tert-amyl methyl ether 1281.34
    2,5,8-trioxanonane 834.8
    1-hexene 2434.92
    2-isopropoxyethanol 341.53
    2,2,2-trifluoroethanol 51.47
    methyl butyrate 1117.62

    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

Botanical

Name CAS Botanical Proportion
Homalomena aromatica rhizome (Vietnam) Homalomena aromatica Schott. (Calla aromatica), fam. Araceae 0.05%
Annual wormwood, leaf (U.S.A., Indiana) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.04%
Annual wormwood, leaf (U.S.A., Indiana) 2 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.33%
Annual wormwood, flower (U.S.A., Indiana) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.02%