1-Ethenyl-2-methylbenzene

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  • Identifiers

    CAS number
    611-15-4

    Molecular formula
    C9H10

    SMILES
    CC1=CC=CC=C1C=C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 54.68%
    Herbal 48.98%
    Spicy 47.72%
    Phenolic 40.9%
    Green 39.06%
    Floral 38.55%
    Pungent 36.22%
    Musty 36.21%
    Bitter 34.91%
    Medicinal 34.73%

     

    Flavor
    Sweet 38.82%
    Phenolic 36.66%
    Plastic 32.79%
    Gasoline 32.14%
    Herbal 29.77%
    Medicinal 28.93%
    Citrus 28.68%
    Guaiacol 28.35%
    Spicy 27.95%
    Licorice 27.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.62 (neutral)

    Molecular weight
    118.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -68.50 °C
    • -69 °C

    Boiling point

    • 170 °C

    Flash point

    • 43.5 ˚C est.
    • 58 °C (136 °F) - closed cup
    • 60 °C - open cup
    • 58 °C c.c.

    Solubility expt.

    • Insoluble in water
    • Soluble in benzene, chloroform
    • Solubility in water, mg/l at 25 °C: 117 (very slightly soluble)

  • Synonyms

    • 2-Methylstyrene
    • 611-15-4
    • 2-Vinyltoluene
    • 1-Methyl-2-vinylbenzene
    • 1-Ethenyl-2-methylbenzene
    • o-Vinyltoluene
    • O-METHYLSTYRENE
    • Styrene, o-methyl-
    • Benzene, 1-ethenyl-2-methyl-
    • Benzene, ethenylmethyl-
    • EINECS 210-256-7
    • MFCD00014936
    • BRN 1901764
    • 2-Ethenylmethylbenzene
    • 556UO5CL44
    • (2-TOLYL)ETHENE
    • POLY(VINYLTOLUENE)
    • METHYLSTYRENE, O-
    • DTXSID2060599
    • HSDB 8457
    • 4-05-00-01367 (Beilstein Handbook Reference)
    • 2-METHYLSTYRENE (STABILIZED WITH TBC)
    • 1-ethenyl-2-methyl-benzene
    • ortho-Methylstyrene
    • UNII-556UO5CL44
    • o-methyl-styrene
    • ortho-vinyltoluene
    • 2-Methyl-1-vinylbenzene
    • CHEMBL3427716
    • DTXCID4042963
    • NVZWEEGUWXZOKI-UHFFFAOYSA-
    • Poly(Vinyltoluene), Mixed Isomers
    • Benzene, ethenylmethyl, homopolymer
    • Benzene, 1-ethenyl-2-methyl-(9CI)
    • 2-Methylstyrene, >=95.0% (GC)
    • AKOS005256969
    • FM106355
    • LS-13610
    • SY048431
    • CS-0110436
    • M0259
    • NS00019910
    • T72704
    • Q2805872
    • InChI=1/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
    • 210-256-7
    • 25087-21-2

  • Applications

    1-Ethenyl-2-methylbenzene (CAS 611-15-4), also known as o-methylstyrene, is primarily used as a polymerizable vinyl monomer and intermediate in chemical synthesis. In the polymers/plastics industry, it copolymerizes with styrene and other monomers to tune the thermal and mechanical properties of resins and plastics. In coatings and inks, it serves as a vinyl-based monomer in formulations for durable coatings and paints with good adhesion. It also functions as a component in vinyl adhesives and sealants, and as a chemical building block for synthesizing other aromatic compounds used across industrial applications. Additionally, its derivatives are sometimes explored for electronics-related and specialty packaging materials, reflecting ongoing development in material science.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 715.77
    methanol 581.88
    isopropanol 568.9
    water 0.46
    ethyl acetate 1493.03
    n-propanol 692.45
    acetone 1213.07
    n-butanol 729.34
    acetonitrile 1463.9
    DMF 984.74
    toluene 1006.05
    isobutanol 529.69
    1,4-dioxane 3436.47
    methyl acetate 1255.05
    THF 3101.55
    2-butanone 1207.7
    n-pentanol 594.35
    sec-butanol 578.2
    n-hexane 838.65
    ethylene glycol 61.69
    NMP 1181.82
    cyclohexane 760.37
    DMSO 1151.55
    n-butyl acetate 2152.89
    n-octanol 406.93
    chloroform 2400.72
    n-propyl acetate 1130.25
    acetic acid 381.64
    dichloromethane 2509.14
    cyclohexanone 1857.08
    propylene glycol 87.45
    isopropyl acetate 858.23
    DMAc 590.56
    2-ethoxyethanol 591.49
    isopentanol 624.43
    n-heptane 512.55
    ethyl formate 679.98
    1,2-dichloroethane 1901.0
    n-hexanol 1050.97
    2-methoxyethanol 667.34
    isobutyl acetate 704.99
    tetrachloromethane 741.52
    n-pentyl acetate 680.91
    transcutol 1845.71
    n-heptanol 408.24
    ethylbenzene 556.72
    MIBK 777.06
    2-propoxyethanol 1165.92
    tert-butanol 767.51
    MTBE 1414.64
    2-butoxyethanol 520.56
    propionic acid 465.7
    o-xylene 461.75
    formic acid 70.17
    diethyl ether 2504.15
    m-xylene 587.66
    p-xylene 576.03
    chlorobenzene 991.28
    dimethyl carbonate 404.17
    n-octane 192.61
    formamide 162.83
    cyclopentanone 1838.15
    2-pentanone 1186.21
    anisole 987.35
    cyclopentyl methyl ether 1838.42
    gamma-butyrolactone 1720.19
    1-methoxy-2-propanol 595.36
    pyridine 1574.83
    3-pentanone 1008.5
    furfural 1085.67
    n-dodecane 118.8
    diethylene glycol 421.15
    diisopropyl ether 766.09
    tert-amyl alcohol 633.87
    acetylacetone 937.7
    n-hexadecane 137.52
    acetophenone 566.96
    methyl propionate 975.56
    isopentyl acetate 1318.14
    trichloroethylene 2175.94
    n-nonanol 376.5
    cyclohexanol 734.5
    benzyl alcohol 390.6
    2-ethylhexanol 782.66
    isooctanol 363.08
    dipropyl ether 1653.91
    1,2-dichlorobenzene 759.89
    ethyl lactate 253.4
    propylene carbonate 857.97
    n-methylformamide 474.37
    2-pentanol 617.89
    n-pentane 536.45
    1-propoxy-2-propanol 927.57
    1-methoxy-2-propyl acetate 959.77
    2-(2-methoxypropoxy) propanol 496.67
    mesitylene 397.68
    ε-caprolactone 1506.51
    p-cymene 340.5
    epichlorohydrin 2218.46
    1,1,1-trichloroethane 1803.97
    2-aminoethanol 159.89
    morpholine-4-carbaldehyde 1433.01
    sulfolane 1704.53
    2,2,4-trimethylpentane 188.58
    2-methyltetrahydrofuran 2570.21
    n-hexyl acetate 883.03
    isooctane 200.27
    2-(2-butoxyethoxy)ethanol 703.88
    sec-butyl acetate 691.29
    tert-butyl acetate 914.75
    decalin 320.1
    glycerin 115.04
    diglyme 1306.11
    acrylic acid 287.86
    isopropyl myristate 422.56
    n-butyric acid 784.35
    acetyl acetate 667.83
    di(2-ethylhexyl) phthalate 233.84
    ethyl propionate 945.56
    nitromethane 961.04
    1,2-diethoxyethane 1660.08
    benzonitrile 667.18
    trioctyl phosphate 210.18
    1-bromopropane 1739.58
    gamma-valerolactone 1789.23
    n-decanol 304.44
    triethyl phosphate 330.61
    4-methyl-2-pentanol 366.46
    propionitrile 1157.81
    vinylene carbonate 776.78
    1,1,2-trichlorotrifluoroethane 625.82
    DMS 574.98
    cumene 340.1
    2-octanol 320.05
    2-hexanone 1070.8
    octyl acetate 488.4
    limonene 588.61
    1,2-dimethoxyethane 1599.95
    ethyl orthosilicate 348.65
    tributyl phosphate 280.77
    diacetone alcohol 627.86
    N,N-dimethylaniline 517.99
    acrylonitrile 1004.96
    aniline 663.91
    1,3-propanediol 300.36
    bromobenzene 1160.18
    dibromomethane 2031.49
    1,1,2,2-tetrachloroethane 1659.1
    2-methyl-cyclohexyl acetate 644.46
    tetrabutyl urea 345.09
    diisobutyl methanol 428.95
    2-phenylethanol 585.24
    styrene 694.61
    dioctyl adipate 432.08
    dimethyl sulfate 481.65
    ethyl butyrate 1227.08
    methyl lactate 236.7
    butyl lactate 309.57
    diethyl carbonate 643.62
    propanediol butyl ether 291.56
    triethyl orthoformate 667.81
    p-tert-butyltoluene 329.67
    methyl 4-tert-butylbenzoate 458.64
    morpholine 2585.15
    tert-butylamine 624.77
    n-dodecanol 259.36
    dimethoxymethane 1137.26
    ethylene carbonate 783.09
    cyrene 380.03
    2-ethoxyethyl acetate 754.55
    2-ethylhexyl acetate 1176.9
    1,2,4-trichlorobenzene 762.26
    4-methylpyridine 1534.98
    dibutyl ether 1042.76
    2,6-dimethyl-4-heptanol 428.95
    DEF 1180.85
    dimethyl isosorbide 969.37
    tetrachloroethylene 1148.18
    eugenol 417.12
    triacetin 482.64
    span 80 421.89
    1,4-butanediol 139.59
    1,1-dichloroethane 1833.84
    2-methyl-1-pentanol 533.93
    methyl formate 416.01
    2-methyl-1-butanol 603.23
    n-decane 201.16
    butyronitrile 1231.89
    3,7-dimethyl-1-octanol 446.77
    1-chlorooctane 532.05
    1-chlorotetradecane 231.66
    n-nonane 225.41
    undecane 150.16
    tert-butylcyclohexane 311.82
    cyclooctane 340.02
    cyclopentanol 690.08
    tetrahydropyran 3171.56
    tert-amyl methyl ether 950.96
    2,5,8-trioxanonane 850.99
    1-hexene 1464.03
    2-isopropoxyethanol 527.78
    2,2,2-trifluoroethanol 133.58
    methyl butyrate 1108.36

    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