3-Vinyltoluene

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  • Identifiers

    CAS number
    100-80-1

    Molecular formula
    C9H10

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 75.29%
    Floral 53.48%
    Spicy 43.82%
    Bitter 41.29%
    Almond 40.89%
    Phenolic 40.54%
    Cherry 40.46%
    Herbal 37.81%
    Balsamic 37.68%
    Anisic 36.41%

     

    Flavor
    Sweet 60.13%
    Plastic 36.64%
    Cherry 35.7%
    Phenolic 34.3%
    Balsam 31.64%
    Spice 28.98%
    Floral 28.16%
    Spicy 25.35%
    Licorice 25.05%
    Citrus 24.5%

     

    Odor impact est.
    High

    Odor threshold

    • The odor threshold for vinyl toluene (55-70% meta and 30-45% para isomer) was reported to be similar to that for styrene, ie 50 ppm [240 mg/cu m].

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.75 (neutral)

    Molecular weight
    118.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -86.3 °C
    • -86 °C

    Boiling point

    • 170 °C
    • 164 °C

    Flash point

    • 43.69 ˚C est.
    • 51 °C c.c.

    Solubility expt.

    • In water, 89.0 mg/L at 25 °C
    • Insoluble in water
    • Soluble in ethanol, ether, benzene
    • Solubility in water, mg/l at 25 °C: 89 (practically insoluble)

  • Synonyms

    • 3-Methylstyrene
    • 100-80-1
    • 1-Methyl-3-vinylbenzene
    • 3-Vinyltoluene
    • m-Vinyltoluene
    • 1-Ethenyl-3-methylbenzene
    • Benzene, 1-ethenyl-3-methyl-
    • M-METHYLSTYRENE
    • Styrene, m-methyl-
    • m-Methyl styrene
    • m-vinyl toluene
    • EINECS 202-889-2
    • FFK4I9430G
    • 3-Ethenylmethylbenzene
    • DTXSID9051454
    • METAMETHYL STYRENE
    • METHYLSTYRENE, M-
    • DTXCID201436
    • HSDB 8450
    • Benzene, 1-ethenyl-3(or 4)-methyl-
    • 3-Methylstyrene (stabilized with TBC)
    • 1-Methyl-3-ethenylbenzene
    • Vinyl toluene (65-71% m- and 32-35% p-)
    • meta-Methylstyrene
    • UNII-FFK4I9430G
    • mMethylstyrene
    • mVinyltoluene
    • 3methylstyrene
    • mMethyl styrene
    • metaMethylstyrene
    • m-methyl-styrene
    • 3-vinyl toluene
    • Styrene, mmethyl
    • 1Methyl3vinylbenzene
    • MFCD00008617
    • 1Ethenyl3methylbenzene
    • Benzene, 1ethenyl3methyl
    • DSSTox_CID_1436
    • 1-ethenyl-3-methyl-benzene
    • DSSTox_RID_78088
    • DSSTox_GSID_26292
    • CHEMBL1381662
    • JZHGRUMIRATHIU-UHFFFAOYSA-
    • Tox21_200186
    • Tox21_303890
    • BBL103758
    • STL557568
    • AKOS009156836
    • NCGC00091079-01
    • NCGC00091079-02
    • NCGC00257740-01
    • NCGC00357147-01
    • AS-47795
    • CAS-100-80-1
    • CAS-25013-15-4
    • CS-0110437
    • M0260
    • NS00003045
    • F16162
    • Q2675854
    • InChI=1/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
    • 3-Methylstyrene, 99%, contains 0.1% 3,5-di-tert-butylcatechol as inhibitor
    • 202-889-2

  • Applications

    3-Vinyltoluene (CAS 100-80-1) is an aromatic vinyl monomer used primarily for polymerization to form poly(vinyltoluene) and styrenic copolymers with styrene, enabling tuning of rigidity, glass transition, and chemical resistance in plastics and resins. It is employed in coatings and inks formulations as a reactive monomer to modify film properties; in adhesives and sealants to tailor crosslink density and performance; and as an intermediate in organic synthesis for specialty monomers and resin formulations. The vinyl functionality enables participation in UV-curable or thermoset systems, depending on formulation controls and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 563.13
    methanol 331.36
    isopropanol 563.86
    water 0.16
    ethyl acetate 1371.7
    n-propanol 606.41
    acetone 1385.91
    n-butanol 722.11
    acetonitrile 957.27
    DMF 952.82
    toluene 818.71
    isobutanol 508.67
    1,4-dioxane 2370.44
    methyl acetate 1077.84
    THF 2899.79
    2-butanone 1320.91
    n-pentanol 579.23
    sec-butanol 644.81
    n-hexane 1024.91
    ethylene glycol 59.18
    NMP 994.57
    cyclohexane 689.9
    DMSO 969.6
    n-butyl acetate 1930.01
    n-octanol 518.58
    chloroform 1802.03
    n-propyl acetate 901.59
    acetic acid 253.07
    dichloromethane 1752.93
    cyclohexanone 1642.8
    propylene glycol 117.88
    isopropyl acetate 833.56
    DMAc 652.56
    2-ethoxyethanol 505.81
    isopentanol 658.12
    n-heptane 716.85
    ethyl formate 531.41
    1,2-dichloroethane 1379.26
    n-hexanol 1343.61
    2-methoxyethanol 594.4
    isobutyl acetate 643.22
    tetrachloromethane 466.87
    n-pentyl acetate 604.8
    transcutol 1644.56
    n-heptanol 486.94
    ethylbenzene 533.42
    MIBK 801.46
    2-propoxyethanol 1290.95
    tert-butanol 835.3
    MTBE 1502.97
    2-butoxyethanol 549.46
    propionic acid 363.84
    o-xylene 431.37
    formic acid 36.23
    diethyl ether 2225.29
    m-xylene 569.28
    p-xylene 526.71
    chlorobenzene 752.48
    dimethyl carbonate 362.46
    n-octane 245.94
    formamide 76.93
    cyclopentanone 1714.62
    2-pentanone 1268.41
    anisole 830.4
    cyclopentyl methyl ether 1706.54
    gamma-butyrolactone 1405.6
    1-methoxy-2-propanol 707.09
    pyridine 1138.29
    3-pentanone 1020.61
    furfural 791.52
    n-dodecane 154.13
    diethylene glycol 436.16
    diisopropyl ether 728.15
    tert-amyl alcohol 743.92
    acetylacetone 961.44
    n-hexadecane 176.34
    acetophenone 518.53
    methyl propionate 900.45
    isopentyl acetate 1319.82
    trichloroethylene 1665.1
    n-nonanol 449.19
    cyclohexanol 720.4
    benzyl alcohol 341.82
    2-ethylhexanol 969.9
    isooctanol 407.28
    dipropyl ether 1893.81
    1,2-dichlorobenzene 585.86
    ethyl lactate 251.56
    propylene carbonate 799.79
    n-methylformamide 335.65
    2-pentanol 691.24
    n-pentane 569.97
    1-propoxy-2-propanol 1094.86
    1-methoxy-2-propyl acetate 966.29
    2-(2-methoxypropoxy) propanol 496.15
    mesitylene 388.74
    ε-caprolactone 1263.16
    p-cymene 350.88
    epichlorohydrin 1832.1
    1,1,1-trichloroethane 1463.54
    2-aminoethanol 145.7
    morpholine-4-carbaldehyde 1012.31
    sulfolane 1386.58
    2,2,4-trimethylpentane 199.62
    2-methyltetrahydrofuran 2377.01
    n-hexyl acetate 872.87
    isooctane 231.75
    2-(2-butoxyethoxy)ethanol 719.23
    sec-butyl acetate 610.71
    tert-butyl acetate 904.4
    decalin 334.19
    glycerin 126.56
    diglyme 1207.13
    acrylic acid 216.8
    isopropyl myristate 429.22
    n-butyric acid 681.35
    acetyl acetate 572.96
    di(2-ethylhexyl) phthalate 238.54
    ethyl propionate 778.15
    nitromethane 637.45
    1,2-diethoxyethane 1442.39
    benzonitrile 514.02
    trioctyl phosphate 226.85
    1-bromopropane 1436.61
    gamma-valerolactone 1441.15
    n-decanol 375.84
    triethyl phosphate 297.01
    4-methyl-2-pentanol 415.13
    propionitrile 876.22
    vinylene carbonate 574.61
    1,1,2-trichlorotrifluoroethane 545.11
    DMS 510.36
    cumene 346.37
    2-octanol 379.79
    2-hexanone 1092.93
    octyl acetate 515.77
    limonene 633.29
    1,2-dimethoxyethane 1371.13
    ethyl orthosilicate 322.91
    tributyl phosphate 283.6
    diacetone alcohol 690.86
    N,N-dimethylaniline 503.25
    acrylonitrile 700.47
    aniline 521.78
    1,3-propanediol 276.2
    bromobenzene 938.62
    dibromomethane 1519.57
    1,1,2,2-tetrachloroethane 1421.9
    2-methyl-cyclohexyl acetate 617.02
    tetrabutyl urea 361.97
    diisobutyl methanol 485.64
    2-phenylethanol 588.01
    styrene 619.65
    dioctyl adipate 420.77
    dimethyl sulfate 458.07
    ethyl butyrate 1090.17
    methyl lactate 241.53
    butyl lactate 306.75
    diethyl carbonate 498.8
    propanediol butyl ether 362.7
    triethyl orthoformate 555.9
    p-tert-butyltoluene 352.52
    methyl 4-tert-butylbenzoate 458.03
    morpholine 1986.65
    tert-butylamine 666.45
    n-dodecanol 313.85
    dimethoxymethane 1076.26
    ethylene carbonate 587.36
    cyrene 360.53
    2-ethoxyethyl acetate 614.98
    2-ethylhexyl acetate 1126.73
    1,2,4-trichlorobenzene 609.15
    4-methylpyridine 1178.1
    dibutyl ether 1129.4
    2,6-dimethyl-4-heptanol 485.64
    DEF 1074.58
    dimethyl isosorbide 860.01
    tetrachloroethylene 810.51
    eugenol 397.89
    triacetin 470.04
    span 80 454.35
    1,4-butanediol 134.69
    1,1-dichloroethane 1518.05
    2-methyl-1-pentanol 545.56
    methyl formate 316.8
    2-methyl-1-butanol 631.88
    n-decane 248.03
    butyronitrile 1007.74
    3,7-dimethyl-1-octanol 531.53
    1-chlorooctane 635.49
    1-chlorotetradecane 276.64
    n-nonane 295.88
    undecane 191.1
    tert-butylcyclohexane 343.25
    cyclooctane 364.56
    cyclopentanol 666.3
    tetrahydropyran 2681.04
    tert-amyl methyl ether 1062.94
    2,5,8-trioxanonane 790.29
    1-hexene 1708.21
    2-isopropoxyethanol 488.6
    2,2,2-trifluoroethanol 78.28
    methyl butyrate 951.9

    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