2,6-Dimethylstyrene

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  • Identifiers

    CAS number
    2039-90-9

    Molecular formula
    C10H12

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

    Retention indicies (RI)

    • DB5: 1096.0

  • Odor profile

    Fragrance
    Herbal 57.86%
    Spicy 50.41%
    Green 48.07%
    Phenolic 41.49%
    Sweet 41.44%
    Woody 40.79%
    Musty 36.57%
    Medicinal 33.96%
    Nutty 33.33%
    Earthy 32.38%

     

    Flavor
    Phenolic 40.09%
    Medicinal 31.25%
    Plastic 30.92%
    Guaiacol 27.73%
    Woody 25.93%
    Spicy 25.51%
    Styrene 24.52%
    Citrus 24.46%
    Licorice 24.33%
    Spice 24.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.98 (neutral)

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point

    • 61.25 ˚C est.

  • Synonyms

    • 2,6-DIMETHYLSTYRENE
    • 2039-90-9
    • 1,3-Dimethyl-2-vinylbenzene
    • Benzene, 2-ethenyl-1,3-dimethyl-
    • 2-ethenyl-1,3-dimethylbenzene
    • Styrene, 2,6-dimethyl-
    • EINECS 218-029-4
    • 1,3-Dimethyl-2-ethenylbenzene
    • DTXSID20174333
    • MFCD00014938
    • 2,6-dimethyl-styrene
    • DTXCID3096824
    • AKOS006283306
    • AB89892
    • FD66050
    • AS-76434
    • DB-098358
    • Stabilised with 0.1% 4-tertbutyl-catechol
    • CS-0158030
    • NS00021826
    • D94584
    • EN300-1856683
    • 218-029-4

  • Applications

    2,6-Dimethylstyrene (CAS 2039-90-9) is primarily used as a specialty monomer in polymer chemistry, enabling copolymerization with styrene and other vinyl monomers to produce high-gloss, heat- and chemical-resistant resins used in coatings and plastics. It also serves as an industrial intermediate for the synthesis of substituted aromatic compounds and other specialty organic chemicals. In coatings and inks, it can function as a reactive monomer or crosslinkable component in UV- or radical-curing formulations, contributing to film hardness and chemical resistance. It is occasionally evaluated for use in adhesives as a copolymerizable building block to enhance bond performance. In electronics, formulated grades may appear in photoresists and resin components for microfabrication. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1503.77
    methanol 1489.74
    isopropanol 1059.24
    water 1.33
    ethyl acetate 2383.59
    n-propanol 1361.49
    acetone 2338.49
    n-butanol 1318.44
    acetonitrile 2616.87
    DMF 1745.23
    toluene 2069.92
    isobutanol 976.19
    1,4-dioxane 5945.89
    methyl acetate 1973.37
    THF 6959.28
    2-butanone 2034.96
    n-pentanol 1037.7
    sec-butanol 974.93
    n-hexane 1821.59
    ethylene glycol 120.12
    NMP 2123.75
    cyclohexane 1978.6
    DMSO 1764.93
    n-butyl acetate 3020.63
    n-octanol 685.67
    chloroform 3594.63
    n-propyl acetate 1524.76
    acetic acid 615.46
    dichloromethane 4120.22
    cyclohexanone 3465.08
    propylene glycol 135.24
    isopropyl acetate 1342.6
    DMAc 853.84
    2-ethoxyethanol 1030.72
    isopentanol 1052.41
    n-heptane 975.02
    ethyl formate 1139.75
    1,2-dichloroethane 3541.22
    n-hexanol 1954.41
    2-methoxyethanol 1251.96
    isobutyl acetate 972.99
    tetrachloromethane 1342.56
    n-pentyl acetate 1151.05
    transcutol 2126.96
    n-heptanol 680.13
    ethylbenzene 1014.54
    MIBK 1285.38
    2-propoxyethanol 2064.35
    tert-butanol 1302.29
    MTBE 2563.8
    2-butoxyethanol 848.63
    propionic acid 701.85
    o-xylene 815.28
    formic acid 153.08
    diethyl ether 4898.76
    m-xylene 1161.87
    p-xylene 1042.49
    chlorobenzene 1728.84
    dimethyl carbonate 670.58
    n-octane 380.82
    formamide 328.22
    cyclopentanone 3401.94
    2-pentanone 2144.38
    anisole 1521.83
    cyclopentyl methyl ether 4092.87
    gamma-butyrolactone 3200.32
    1-methoxy-2-propanol 1041.44
    pyridine 2752.5
    3-pentanone 1761.4
    furfural 1683.46
    n-dodecane 213.3
    diethylene glycol 756.53
    diisopropyl ether 1452.23
    tert-amyl alcohol 999.85
    acetylacetone 1472.24
    n-hexadecane 252.35
    acetophenone 805.14
    methyl propionate 1634.84
    isopentyl acetate 1884.22
    trichloroethylene 3510.34
    n-nonanol 602.4
    cyclohexanol 1432.69
    benzyl alcohol 638.61
    2-ethylhexanol 1309.1
    isooctanol 583.19
    dipropyl ether 2684.58
    1,2-dichlorobenzene 1176.45
    ethyl lactate 339.3
    propylene carbonate 1347.69
    n-methylformamide 1014.01
    2-pentanol 1047.21
    n-pentane 1256.19
    1-propoxy-2-propanol 1437.15
    1-methoxy-2-propyl acetate 1398.97
    2-(2-methoxypropoxy) propanol 608.78
    mesitylene 772.31
    ε-caprolactone 2501.08
    p-cymene 550.93
    epichlorohydrin 4097.08
    1,1,1-trichloroethane 2997.68
    2-aminoethanol 293.3
    morpholine-4-carbaldehyde 2254.56
    sulfolane 2838.81
    2,2,4-trimethylpentane 367.16
    2-methyltetrahydrofuran 5476.95
    n-hexyl acetate 1476.37
    isooctane 395.28
    2-(2-butoxyethoxy)ethanol 927.3
    sec-butyl acetate 929.25
    tert-butyl acetate 1474.99
    decalin 634.67
    glycerin 170.93
    diglyme 1783.06
    acrylic acid 455.45
    isopropyl myristate 598.55
    n-butyric acid 1120.73
    acetyl acetate 900.11
    di(2-ethylhexyl) phthalate 325.57
    ethyl propionate 1281.37
    nitromethane 1661.86
    1,2-diethoxyethane 2475.02
    benzonitrile 1052.58
    trioctyl phosphate 326.14
    1-bromopropane 3040.74
    gamma-valerolactone 3131.32
    n-decanol 480.57
    triethyl phosphate 461.6
    4-methyl-2-pentanol 614.29
    propionitrile 2066.16
    vinylene carbonate 1181.82
    1,1,2-trichlorotrifluoroethane 907.92
    DMS 848.34
    cumene 568.78
    2-octanol 548.5
    2-hexanone 1685.59
    octyl acetate 727.5
    limonene 1003.97
    1,2-dimethoxyethane 2605.63
    ethyl orthosilicate 506.76
    tributyl phosphate 408.78
    diacetone alcohol 936.99
    N,N-dimethylaniline 793.67
    acrylonitrile 1642.29
    aniline 1142.53
    1,3-propanediol 525.53
    bromobenzene 2031.8
    dibromomethane 3534.47
    1,1,2,2-tetrachloroethane 2551.64
    2-methyl-cyclohexyl acetate 925.72
    tetrabutyl urea 511.85
    diisobutyl methanol 664.02
    2-phenylethanol 940.33
    styrene 1267.83
    dioctyl adipate 585.91
    dimethyl sulfate 749.56
    ethyl butyrate 1517.14
    methyl lactate 351.47
    butyl lactate 443.27
    diethyl carbonate 779.59
    propanediol butyl ether 435.76
    triethyl orthoformate 913.73
    p-tert-butyltoluene 544.61
    methyl 4-tert-butylbenzoate 630.41
    morpholine 4942.44
    tert-butylamine 1119.56
    n-dodecanol 401.67
    dimethoxymethane 2381.83
    ethylene carbonate 1243.88
    cyrene 530.43
    2-ethoxyethyl acetate 1176.0
    2-ethylhexyl acetate 1737.81
    1,2,4-trichlorobenzene 1122.8
    4-methylpyridine 2700.3
    dibutyl ether 1726.38
    2,6-dimethyl-4-heptanol 664.02
    DEF 1890.11
    dimethyl isosorbide 1242.89
    tetrachloroethylene 1918.7
    eugenol 528.17
    triacetin 590.84
    span 80 572.58
    1,4-butanediol 247.15
    1,1-dichloroethane 3201.77
    2-methyl-1-pentanol 857.76
    methyl formate 893.12
    2-methyl-1-butanol 1020.62
    n-decane 375.26
    butyronitrile 2218.62
    3,7-dimethyl-1-octanol 661.85
    1-chlorooctane 931.79
    1-chlorotetradecane 382.45
    n-nonane 433.02
    undecane 274.27
    tert-butylcyclohexane 594.87
    cyclooctane 816.37
    cyclopentanol 1427.05
    tetrahydropyran 6691.47
    tert-amyl methyl ether 1698.36
    2,5,8-trioxanonane 1048.12
    1-hexene 2814.69
    2-isopropoxyethanol 830.61
    2,2,2-trifluoroethanol 225.87
    methyl butyrate 1480.14

    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

Botanical

Name CAS Botanical Proportion
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.01%