4-Ethylstyrene

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  • Identifiers

    CAS number
    3454-07-7

    Molecular formula
    C10H12

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Herbal 57.16%
    Sweet 56.4%
    Green 54.0%
    Spicy 47.22%
    Phenolic 37.53%
    Anisic 35.45%
    Floral 33.0%
    Pungent 32.84%
    Musty 32.2%
    Gassy 31.98%

     

    Flavor
    Sweet 65.33%
    Green 45.1%
    Balsam 40.6%
    Floral 38.0%
    Spicy 36.91%
    Herbal 36.53%
    Spice 34.37%
    Citrus 33.53%
    Anise 32.39%
    Gasoline 31.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.67 (neutral)

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    188°C

    Flash point

    • 63.52 ˚C est.

  • Synonyms

    • 4-ETHYLSTYRENE
    • 1-Ethenyl-4-ethylbenzene
    • 3454-07-7
    • p-Ethylstyrene
    • p-Ethylvinylbenzene
    • Benzene, 1-ethenyl-4-ethyl-
    • Styrene, p-ethyl-
    • ZKX7MV36HU
    • ETHYLSTYRENE, P-
    • UNII-ZKX7MV36HU
    • P-ETHYLETHENYLBENZENE
    • DTXSID70188081
    • EINECS 222-381-4
    • RefChem:6766
    • DTXCID00110572
    • 222-381-4
    • 1-Ethyl-4-vinylbenzene
    • MFCD00085258
    • Benzene,1-ethenyl-4-ethyl-
    • p-ethyl-styrene
    • 4-Ethenylstyrene
    • 1-ethyl-4-vinyl-benzene
    • 1-Ethyl-4-vinylbenzene #
    • 4-Ethyl-1-ethenyl benzene
    • SCHEMBL15915
    • 1-_Ethyl-_4-_vinylbenzene
    • SCHEMBL248030
    • SCHEMBL293942
    • SCHEMBL396152
    • SCHEMBL1610996
    • SCHEMBL6082288
    • SCHEMBL17046387
    • CHEBI:229424
    • MSK001948
    • 4-Ethylstyrene(stabilized with MEHQ)
    • AKOS006274646
    • MSK001948-100M
    • 1-?Ethyl-?4-?vinylbenzene (>80%)
    • 1-Ethyl-4-vinylbenzene (MEHQ stabilized)
    • NS00049559
    • EN300-98031
    • F87899
    • 1-Ethyl-4-vinylbenzene Solution in Methanol, 100ug/mL
    • 55757-90-9
    • 3454-07-7

  • Applications

    4-Ethylstyrene (CAS 3454-07-7) is primarily used as a monomer in copolymerization with styrene and other monomers to produce specialty polymers for coatings, plastics, and adhesives; it also serves as a chemical intermediate and building block for functional aromatic compounds used in polymer synthesis and property tuning (e.g., Tg and processability); it is considered a component in research and development for polymer materials to create high-performance resin and plastic systems; subject to local regulations and formulation limits, it may appear as a constituent in industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 401.35
    methanol 231.63
    isopropanol 219.54
    water 0.02
    ethyl acetate 1369.68
    n-propanol 384.66
    acetone 537.11
    n-butanol 397.44
    acetonitrile 676.55
    DMF 379.26
    toluene 1280.31
    isobutanol 214.67
    1,4-dioxane 1721.7
    methyl acetate 721.55
    THF 1641.13
    2-butanone 894.92
    n-pentanol 294.99
    sec-butanol 290.05
    n-hexane 474.88
    ethylene glycol 16.18
    NMP 348.48
    cyclohexane 562.42
    DMSO 398.52
    n-butyl acetate 1905.82
    n-octanol 148.73
    chloroform 1889.75
    n-propyl acetate 670.37
    acetic acid 152.1
    dichloromethane 2243.13
    cyclohexanone 943.69
    propylene glycol 33.59
    isopropyl acetate 620.56
    DMAc 355.0
    2-ethoxyethanol 273.91
    isopentanol 317.69
    n-heptane 370.12
    ethyl formate 323.13
    1,2-dichloroethane 1654.42
    n-hexanol 612.35
    2-methoxyethanol 363.0
    isobutyl acetate 392.85
    tetrachloromethane 350.26
    n-pentyl acetate 411.6
    transcutol 1816.07
    n-heptanol 153.39
    ethylbenzene 511.86
    MIBK 436.99
    2-propoxyethanol 563.84
    tert-butanol 330.88
    MTBE 1082.91
    2-butoxyethanol 210.0
    propionic acid 188.01
    o-xylene 396.12
    formic acid 22.84
    diethyl ether 2587.83
    m-xylene 506.63
    p-xylene 426.94
    chlorobenzene 827.98
    dimethyl carbonate 171.15
    n-octane 89.53
    formamide 61.35
    cyclopentanone 761.58
    2-pentanone 826.12
    anisole 762.64
    cyclopentyl methyl ether 937.61
    gamma-butyrolactone 596.91
    1-methoxy-2-propanol 261.22
    pyridine 1757.07
    3-pentanone 795.35
    furfural 453.61
    n-dodecane 42.93
    diethylene glycol 161.59
    diisopropyl ether 545.29
    tert-amyl alcohol 335.78
    acetylacetone 563.26
    n-hexadecane 53.07
    acetophenone 418.33
    methyl propionate 651.25
    isopentyl acetate 1204.02
    trichloroethylene 2058.96
    n-nonanol 149.7
    cyclohexanol 310.91
    benzyl alcohol 228.96
    2-ethylhexanol 485.16
    isooctanol 132.63
    dipropyl ether 1780.81
    1,2-dichlorobenzene 591.81
    ethyl lactate 91.75
    propylene carbonate 378.21
    n-methylformamide 165.63
    2-pentanol 291.43
    n-pentane 293.29
    1-propoxy-2-propanol 505.31
    1-methoxy-2-propyl acetate 859.96
    2-(2-methoxypropoxy) propanol 298.3
    mesitylene 289.21
    ε-caprolactone 715.46
    p-cymene 270.84
    epichlorohydrin 1126.69
    1,1,1-trichloroethane 1215.55
    2-aminoethanol 53.38
    morpholine-4-carbaldehyde 479.02
    sulfolane 508.3
    2,2,4-trimethylpentane 103.16
    2-methyltetrahydrofuran 1496.8
    n-hexyl acetate 510.92
    isooctane 96.97
    2-(2-butoxyethoxy)ethanol 383.14
    sec-butyl acetate 441.86
    tert-butyl acetate 623.77
    decalin 178.98
    glycerin 41.4
    diglyme 869.53
    acrylic acid 117.64
    isopropyl myristate 224.3
    n-butyric acid 416.95
    acetyl acetate 504.08
    di(2-ethylhexyl) phthalate 151.93
    ethyl propionate 636.72
    nitromethane 374.1
    1,2-diethoxyethane 2131.65
    benzonitrile 435.87
    trioctyl phosphate 95.16
    1-bromopropane 1615.8
    gamma-valerolactone 695.06
    n-decanol 116.78
    triethyl phosphate 231.72
    4-methyl-2-pentanol 169.72
    propionitrile 659.88
    vinylene carbonate 328.33
    1,1,2-trichlorotrifluoroethane 333.02
    DMS 362.8
    cumene 238.5
    2-octanol 105.43
    2-hexanone 673.57
    octyl acetate 235.52
    limonene 485.19
    1,2-dimethoxyethane 981.07
    ethyl orthosilicate 270.36
    tributyl phosphate 146.81
    diacetone alcohol 297.48
    N,N-dimethylaniline 347.19
    acrylonitrile 537.16
    aniline 494.18
    1,3-propanediol 118.07
    bromobenzene 1140.08
    dibromomethane 1823.26
    1,1,2,2-tetrachloroethane 1370.15
    2-methyl-cyclohexyl acetate 462.57
    tetrabutyl urea 193.61
    diisobutyl methanol 285.87
    2-phenylethanol 417.39
    styrene 729.41
    dioctyl adipate 278.55
    dimethyl sulfate 176.45
    ethyl butyrate 1155.24
    methyl lactate 87.03
    butyl lactate 147.93
    diethyl carbonate 585.35
    propanediol butyl ether 116.47
    triethyl orthoformate 591.61
    p-tert-butyltoluene 257.68
    methyl 4-tert-butylbenzoate 255.04
    morpholine 1621.65
    tert-butylamine 318.8
    n-dodecanol 96.58
    dimethoxymethane 600.27
    ethylene carbonate 317.01
    cyrene 165.96
    2-ethoxyethyl acetate 599.82
    2-ethylhexyl acetate 1127.1
    1,2,4-trichlorobenzene 628.66
    4-methylpyridine 1397.78
    dibutyl ether 874.42
    2,6-dimethyl-4-heptanol 285.87
    DEF 804.42
    dimethyl isosorbide 628.8
    tetrachloroethylene 924.23
    eugenol 208.53
    triacetin 312.06
    span 80 228.81
    1,4-butanediol 35.2
    1,1-dichloroethane 1245.72
    2-methyl-1-pentanol 303.28
    methyl formate 111.29
    2-methyl-1-butanol 318.5
    n-decane 80.9
    butyronitrile 728.85
    3,7-dimethyl-1-octanol 224.1
    1-chlorooctane 278.62
    1-chlorotetradecane 104.43
    n-nonane 92.02
    undecane 56.14
    tert-butylcyclohexane 150.77
    cyclooctane 221.52
    cyclopentanol 209.99
    tetrahydropyran 2234.43
    tert-amyl methyl ether 747.78
    2,5,8-trioxanonane 577.22
    1-hexene 1179.32
    2-isopropoxyethanol 206.21
    2,2,2-trifluoroethanol 31.7
    methyl butyrate 678.64

    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