2,3-Dimethylstyrene

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  • Identifiers

    CAS number
    40243-75-2

    Molecular formula
    C10H12

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

  • Odor profile

    Fragrance
    Herbal 54.92%
    Green 49.83%
    Spicy 46.95%
    Phenolic 40.32%
    Sweet 39.49%
    Woody 37.73%
    Musty 36.31%
    Floral 33.84%
    Earthy 33.14%
    Medicinal 32.68%

     

    Flavor
    Phenolic 34.72%
    Plastic 30.24%
    Citrus 29.37%
    Spicy 28.16%
    Medicinal 27.66%
    Guaiacol 27.5%
    Woody 27.41%
    Herbal 26.33%
    Licorice 24.73%
    Gasoline 24.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.8 (neutral)

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point

    • 61.83 ˚C est.

  • Synonyms

    • 2,3-Dimethylstyrene
    • 1-ethenyl-2,3-dimethylbenzene
    • 40243-75-2
    • 27496-76-0
    • Benzene, 1-ethenyl-2,3-dimethyl-
    • vinylxylol
    • EINECS 248-495-4
    • MFCD00051015
    • DTXSID30865381
    • Benzene, ethenyl-, dimethyl deriv.
    • QBA24375
    • AKOS013993086
    • SY166935
    • NS00121970
    • E83753
    • EN300-195358
    • Methyl 2,3-di-O-benzyl-4,6-di-S-benzyl-4,6-dithiohexopyranoside

  • Applications

    2,3-Dimethylstyrene (CAS 40243-75-2) is primarily used as a monomer or intermediate for the synthesis of polymers and copolymers based on styrene, allowing adjustment of the mechanical properties of plastics and adhesives in industrial applications. It also serves as an intermediate in organic synthesis for high-performance chemicals and specialty materials. In coatings and inks, it can participate in polymerization as a reactive monomer to improve curing hardness and durability of the coating. Additionally, it is regarded as a building block for industrial plastics and high-temperature resin systems, and is sometimes used in adhesive formulations as a reactive component to modify bonding and cure behavior.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 424.48
    methanol 348.64
    isopropanol 348.08
    water 0.42
    ethyl acetate 894.7
    n-propanol 455.21
    acetone 720.86
    n-butanol 463.52
    acetonitrile 796.41
    DMF 800.32
    toluene 684.86
    isobutanol 326.33
    1,4-dioxane 2355.64
    methyl acetate 773.9
    THF 2270.58
    2-butanone 818.21
    n-pentanol 396.65
    sec-butanol 362.29
    n-hexane 605.74
    ethylene glycol 38.67
    NMP 791.42
    cyclohexane 489.01
    DMSO 644.84
    n-butyl acetate 1304.38
    n-octanol 321.28
    chloroform 1685.03
    n-propyl acetate 706.33
    acetic acid 186.92
    dichloromethane 1735.86
    cyclohexanone 1250.29
    propylene glycol 55.37
    isopropyl acetate 568.53
    DMAc 497.25
    2-ethoxyethanol 418.14
    isopentanol 397.91
    n-heptane 387.16
    ethyl formate 426.83
    1,2-dichloroethane 1394.98
    n-hexanol 743.52
    2-methoxyethanol 467.06
    isobutyl acetate 476.93
    tetrachloromethane 561.65
    n-pentyl acetate 529.74
    transcutol 1194.82
    n-heptanol 330.7
    ethylbenzene 482.99
    MIBK 554.3
    2-propoxyethanol 811.27
    tert-butanol 525.24
    MTBE 1032.67
    2-butoxyethanol 410.32
    propionic acid 257.31
    o-xylene 391.97
    formic acid 43.15
    diethyl ether 1633.3
    m-xylene 453.63
    p-xylene 486.93
    chlorobenzene 667.28
    dimethyl carbonate 292.75
    n-octane 171.76
    formamide 109.43
    cyclopentanone 1296.37
    2-pentanone 789.41
    anisole 791.68
    cyclopentyl methyl ether 1330.03
    gamma-butyrolactone 1156.86
    1-methoxy-2-propanol 430.45
    pyridine 1054.03
    3-pentanone 735.38
    furfural 754.14
    n-dodecane 99.43
    diethylene glycol 294.86
    diisopropyl ether 544.46
    tert-amyl alcohol 466.17
    acetylacetone 633.29
    n-hexadecane 115.33
    acetophenone 463.42
    methyl propionate 634.53
    isopentyl acetate 894.6
    trichloroethylene 1621.94
    n-nonanol 301.38
    cyclohexanol 461.82
    benzyl alcohol 301.42
    2-ethylhexanol 567.85
    isooctanol 289.76
    dipropyl ether 1167.63
    1,2-dichlorobenzene 588.66
    ethyl lactate 168.46
    propylene carbonate 579.08
    n-methylformamide 342.25
    2-pentanol 409.32
    n-pentane 360.34
    1-propoxy-2-propanol 623.18
    1-methoxy-2-propyl acetate 667.23
    2-(2-methoxypropoxy) propanol 392.11
    mesitylene 330.31
    ε-caprolactone 962.92
    p-cymene 303.32
    epichlorohydrin 1560.67
    1,1,1-trichloroethane 1352.89
    2-aminoethanol 109.65
    morpholine-4-carbaldehyde 975.47
    sulfolane 1116.97
    2,2,4-trimethylpentane 148.85
    2-methyltetrahydrofuran 1623.36
    n-hexyl acetate 679.51
    isooctane 147.29
    2-(2-butoxyethoxy)ethanol 534.07
    sec-butyl acetate 471.5
    tert-butyl acetate 648.84
    decalin 266.91
    glycerin 76.42
    diglyme 1011.84
    acrylic acid 171.83
    isopropyl myristate 345.9
    n-butyric acid 447.72
    acetyl acetate 407.86
    di(2-ethylhexyl) phthalate 198.52
    ethyl propionate 624.4
    nitromethane 538.07
    1,2-diethoxyethane 1225.46
    benzonitrile 443.96
    trioctyl phosphate 177.31
    1-bromopropane 1185.97
    gamma-valerolactone 1292.49
    n-decanol 248.5
    triethyl phosphate 280.87
    4-methyl-2-pentanol 252.02
    propionitrile 748.95
    vinylene carbonate 536.15
    1,1,2-trichlorotrifluoroethane 452.09
    DMS 451.41
    cumene 313.68
    2-octanol 262.67
    2-hexanone 767.9
    octyl acetate 399.51
    limonene 477.38
    1,2-dimethoxyethane 1207.91
    ethyl orthosilicate 300.77
    tributyl phosphate 221.54
    diacetone alcohol 445.48
    N,N-dimethylaniline 475.22
    acrylonitrile 659.01
    aniline 456.77
    1,3-propanediol 195.7
    bromobenzene 802.72
    dibromomethane 1392.29
    1,1,2,2-tetrachloroethane 1259.18
    2-methyl-cyclohexyl acetate 492.39
    tetrabutyl urea 284.41
    diisobutyl methanol 329.16
    2-phenylethanol 474.44
    styrene 562.0
    dioctyl adipate 351.42
    dimethyl sulfate 360.66
    ethyl butyrate 796.15
    methyl lactate 168.47
    butyl lactate 233.12
    diethyl carbonate 438.46
    propanediol butyl ether 226.44
    triethyl orthoformate 482.1
    p-tert-butyltoluene 300.84
    methyl 4-tert-butylbenzoate 406.99
    morpholine 1810.34
    tert-butylamine 435.16
    n-dodecanol 209.13
    dimethoxymethane 903.61
    ethylene carbonate 512.6
    cyrene 299.47
    2-ethoxyethyl acetate 584.15
    2-ethylhexyl acetate 815.69
    1,2,4-trichlorobenzene 584.02
    4-methylpyridine 1027.02
    dibutyl ether 794.46
    2,6-dimethyl-4-heptanol 329.16
    DEF 831.95
    dimethyl isosorbide 744.91
    tetrachloroethylene 862.65
    eugenol 350.1
    triacetin 373.68
    span 80 322.31
    1,4-butanediol 91.92
    1,1-dichloroethane 1283.41
    2-methyl-1-pentanol 356.89
    methyl formate 287.92
    2-methyl-1-butanol 391.68
    n-decane 173.81
    butyronitrile 744.85
    3,7-dimethyl-1-octanol 330.24
    1-chlorooctane 443.94
    1-chlorotetradecane 193.64
    n-nonane 193.54
    undecane 127.83
    tert-butylcyclohexane 261.39
    cyclooctane 247.47
    cyclopentanol 458.9
    tetrahydropyran 2093.62
    tert-amyl methyl ether 738.67
    2,5,8-trioxanonane 662.98
    1-hexene 1074.83
    2-isopropoxyethanol 364.4
    2,2,2-trifluoroethanol 85.85
    methyl butyrate 733.35

    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