4-Methylstyrene

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  • Identifiers

    CAS number
    622-97-9

    Molecular formula
    C9H10

    SMILES
    CC1=CC=C(C=C1)C=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 79.63%
    Floral 52.61%
    Bitter 44.64%
    Almond 44.62%
    Spicy 43.05%
    Cherry 42.71%
    Phenolic 40.28%
    Balsamic 39.29%
    Anisic 39.18%
    Pungent 38.94%

     

    Flavor
    Sweet 67.98%
    Balsam 38.09%
    Plastic 37.45%
    Phenolic 36.57%
    Cherry 36.52%
    Floral 33.04%
    Anise 30.4%
    Gasoline 29.25%
    Licorice 29.07%
    Spice 28.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.64 (neutral)

    Molecular weight
    118.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -37.8 °C

    Boiling point

    • 172 °C

    Flash point

    • 46.81 ˚C est.
    • 125 to 127 °F (NFPA, 2010)
    • 52.8 °C
    • 46 °C (115 °F) - closed cup

    Solubility expt.

    • In water, 89 mg/L at 25 °C
    • Insoluble in water
    • Soluble in benzene

  • Synonyms

    • 4-Methylstyrene
    • 622-97-9
    • P-Methylstyrene
    • 1-Methyl-4-vinylbenzene
    • 1-Ethenyl-4-methylbenzene
    • 4-VINYLTOLUENE
    • Methylstyrene
    • p-Vinyltoluene
    • Benzene, 1-ethenyl-4-methyl-
    • 1-p-Tolylethene
    • Styrene, p-methyl-
    • p-Methyl styrene
    • 1319-73-9
    • para-Methylstyrene
    • poly(4-methyl styrene)
    • p-Methylstyrene, stabilized
    • HJ7H0G60Q0
    • DTXSID3020889
    • DTXCID10889
    • 4-Methylsytrene (stabilized with TBC)
    • CAS-622-97-9
    • CCRIS 3488
    • HSDB 6503
    • EINECS 210-762-8
    • BRN 1209317
    • UNII-HJ7H0G60Q0
    • p-Methyl-styrene
    • paramethyl styrene
    • (4-Tolyl)ethene
    • MFCD00008621
    • p-MS
    • METHYLSTYRENE, P-
    • 4-05-00-01369 (Beilstein Handbook Reference)
    • 4-VINYLTOLUENE [HSDB]
    • 1-(4-Methylphenyl)-1-ethene
    • CHEMBL3187064
    • CHEBI:173312
    • EINECS 215-292-7
    • Tox21_202394
    • Tox21_302751
    • Benzene, ethenyl-, monomethyl deriv.
    • AKOS009031478
    • 4-Methylstyrene (stabilized with TBC)
    • NCGC00249220-01
    • NCGC00256510-01
    • NCGC00259943-01
    • M0428
    • NS00019678
    • EN300-20627
    • Q2497958
    • F0001-1664
    • Z104479340
    • 1-Methyl-4-vinylbenzene contains 3,5-di-tert-butylcatechol as inhibitor
    • 4-Methylstyrene, 96%, contains 3,5-di-tert-butylcatechol as inhibitor
    • InChI=1/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H
    • 4-Methylstyrene, >=99.0%, contains ~0.005% 4-tert-butylcatechol as inhibitor
    • 54193-24-7

  • Applications

    4-Methylstyrene (CAS 622-97-9) is primarily used as a reactive monomer in polymer chemistry, where it copolymerizes with styrene and other monomers to tailor the glass-transition temperature (Tg), mechanical properties and transparency in specialty polymers and plastics. It serves as a building block in industrial manufacturing for coatings and inks, enabling modified adhesion, hardness and chemical resistance in protective coatings and printed formulations. It is also used as an intermediate in organic synthesis and in adhesive formulations where the aromatic vinyl functionality contributes to adhesion and network formation. In electronics-related applications, it appears in specialty polymers and encapsulants where aromatic content and Tg control are advantageous. Overall, its role is concentrated in polymerization-driven materials recipes and as a chemical intermediate for downstream specialty products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 259.28
    methanol 54.07
    isopropanol 212.51
    water 0.04
    ethyl acetate 728.4
    n-propanol 268.67
    acetone 346.04
    n-butanol 283.7
    acetonitrile 421.41
    DMF 192.8
    toluene 478.01
    isobutanol 177.58
    1,4-dioxane 877.53
    methyl acetate 492.27
    THF 1100.34
    2-butanone 623.09
    n-pentanol 202.99
    sec-butanol 283.63
    n-hexane 274.86
    ethylene glycol 13.12
    NMP 171.69
    cyclohexane 232.29
    DMSO 217.29
    n-butyl acetate 1165.09
    n-octanol 201.35
    chloroform 935.61
    n-propyl acetate 370.59
    acetic acid 93.96
    dichloromethane 1060.45
    cyclohexanone 505.78
    propylene glycol 38.24
    isopropyl acetate 322.9
    DMAc 228.27
    2-ethoxyethanol 168.55
    isopentanol 212.52
    n-heptane 508.37
    ethyl formate 233.16
    1,2-dichloroethane 622.46
    n-hexanol 608.24
    2-methoxyethanol 187.95
    isobutyl acetate 222.39
    tetrachloromethane 173.68
    n-pentyl acetate 267.51
    transcutol 839.37
    n-heptanol 180.21
    ethylbenzene 277.39
    MIBK 268.55
    2-propoxyethanol 432.16
    tert-butanol 273.93
    MTBE 513.52
    2-butoxyethanol 176.44
    propionic acid 141.68
    o-xylene 217.77
    formic acid 9.69
    diethyl ether 903.0
    m-xylene 269.58
    p-xylene 269.93
    chlorobenzene 354.02
    dimethyl carbonate 102.24
    n-octane 112.32
    formamide 29.65
    cyclopentanone 488.28
    2-pentanone 504.61
    anisole 377.94
    cyclopentyl methyl ether 535.62
    gamma-butyrolactone 426.05
    1-methoxy-2-propanol 202.54
    pyridine 688.6
    3-pentanone 429.76
    furfural 245.87
    n-dodecane 61.71
    diethylene glycol 114.41
    diisopropyl ether 250.14
    tert-amyl alcohol 269.78
    acetylacetone 323.3
    n-hexadecane 71.12
    acetophenone 229.59
    methyl propionate 362.13
    isopentyl acetate 676.26
    trichloroethylene 848.06
    n-nonanol 185.29
    cyclohexanol 219.86
    benzyl alcohol 144.55
    2-ethylhexanol 470.07
    isooctanol 140.55
    dipropyl ether 1247.45
    1,2-dichlorobenzene 252.03
    ethyl lactate 78.41
    propylene carbonate 246.66
    n-methylformamide 88.93
    2-pentanol 238.99
    n-pentane 170.71
    1-propoxy-2-propanol 448.56
    1-methoxy-2-propyl acetate 486.22
    2-(2-methoxypropoxy) propanol 224.54
    mesitylene 153.5
    ε-caprolactone 411.13
    p-cymene 238.13
    epichlorohydrin 648.54
    1,1,1-trichloroethane 611.85
    2-aminoethanol 44.06
    morpholine-4-carbaldehyde 249.21
    sulfolane 277.99
    2,2,4-trimethylpentane 64.44
    2-methyltetrahydrofuran 934.57
    n-hexyl acetate 376.84
    isooctane 62.86
    2-(2-butoxyethoxy)ethanol 285.76
    sec-butyl acetate 242.53
    tert-butyl acetate 321.51
    decalin 104.52
    glycerin 35.17
    diglyme 542.56
    acrylic acid 78.88
    isopropyl myristate 184.54
    n-butyric acid 280.78
    acetyl acetate 256.97
    di(2-ethylhexyl) phthalate 114.28
    ethyl propionate 347.44
    nitromethane 204.94
    1,2-diethoxyethane 875.12
    benzonitrile 238.32
    trioctyl phosphate 85.04
    1-bromopropane 763.61
    gamma-valerolactone 391.79
    n-decanol 146.56
    triethyl phosphate 151.35
    4-methyl-2-pentanol 134.03
    propionitrile 414.09
    vinylene carbonate 199.83
    1,1,2-trichlorotrifluoroethane 168.07
    DMS 218.9
    cumene 171.27
    2-octanol 132.19
    2-hexanone 424.74
    octyl acetate 213.98
    limonene 380.91
    1,2-dimethoxyethane 498.88
    ethyl orthosilicate 160.86
    tributyl phosphate 112.52
    diacetone alcohol 213.83
    N,N-dimethylaniline 222.09
    acrylonitrile 291.97
    aniline 228.0
    1,3-propanediol 84.81
    bromobenzene 458.17
    dibromomethane 898.34
    1,1,2,2-tetrachloroethane 538.4
    2-methyl-cyclohexyl acetate 297.2
    tetrabutyl urea 160.07
    diisobutyl methanol 242.36
    2-phenylethanol 257.01
    styrene 324.23
    dioctyl adipate 205.81
    dimethyl sulfate 104.62
    ethyl butyrate 693.48
    methyl lactate 69.04
    butyl lactate 114.13
    diethyl carbonate 313.94
    propanediol butyl ether 113.54
    triethyl orthoformate 319.05
    p-tert-butyltoluene 220.2
    methyl 4-tert-butylbenzoate 212.23
    morpholine 815.52
    tert-butylamine 226.01
    n-dodecanol 120.24
    dimethoxymethane 286.0
    ethylene carbonate 188.78
    cyrene 125.14
    2-ethoxyethyl acetate 334.84
    2-ethylhexyl acetate 625.35
    1,2,4-trichlorobenzene 257.11
    4-methylpyridine 561.26
    dibutyl ether 573.75
    2,6-dimethyl-4-heptanol 242.36
    DEF 350.95
    dimethyl isosorbide 422.96
    tetrachloroethylene 310.67
    eugenol 156.21
    triacetin 219.11
    span 80 186.76
    1,4-butanediol 31.55
    1,1-dichloroethane 681.98
    2-methyl-1-pentanol 182.87
    methyl formate 68.5
    2-methyl-1-butanol 217.69
    n-decane 109.56
    butyronitrile 503.22
    3,7-dimethyl-1-octanol 212.37
    1-chlorooctane 267.37
    1-chlorotetradecane 104.83
    n-nonane 125.35
    undecane 79.09
    tert-butylcyclohexane 107.88
    cyclooctane 115.87
    cyclopentanol 191.76
    tetrahydropyran 1095.89
    tert-amyl methyl ether 382.03
    2,5,8-trioxanonane 388.1
    1-hexene 684.65
    2-isopropoxyethanol 155.88
    2,2,2-trifluoroethanol 25.4
    methyl butyrate 380.27

    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