O,alpha-dimethylstyrene

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  • Identifiers

    CAS number
    7399-49-7

    Molecular formula
    C10H12

    SMILES
    CC1=CC=CC=C1C(=C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1082.0

  • Odor profile

    Herbal 65.06%
    Spicy 51.3%
    Citrus 47.26%
    Terpenic 46.27%
    Woody 44.67%
    Phenolic 42.23%
    Lemon 38.66%
    Sweet 37.09%
    Musty 35.57%
    Nutty 34.16%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    182°C

    Flash point est.
    58.55 ˚C

  • Synonyms

    • 2-Isopropenyltoluene
    • o-Isopropenyltoluene
    • 7399-49-7
    • 26444-18-8
    • 1-Methyl-2-(prop-1-en-2-yl)benzene
    • o,alpha-Dimethylstyrene
    • alpha,2-Dimethylstyrene
    • 1-methyl-2-prop-1-en-2-ylbenzene
    • Benzene, methyl(1-methylethenyl)-
    • isopropenyltoluene
    • Benzene, 1-methyl-2-(1-methylethenyl)-
    • C7WB5C8JTR
    • 1-Isopropenyl-2-methylbenzene
    • EINECS 230-996-4
    • NSC-54362
    • o,.alpha.-Dimethylstyrene
    • o-Methyl-.alpha.-methylstyrene
    • 1-Methyl-2-iso-propenylbenzene
    • DTXSID20224781
    • 2-(1-METHYLETHENYL)TOLUENE
    • NSC 54362
    • 1-METHYL-2-(1-METHYLETHENYL)BENZENE
    • Styrene, o,.alpha.-dimethyl-
    • o-Cymenene
    • Isopropenyl toluene
    • NSC54362
    • MFCD00049092
    • alpha ,2-Dimethylstyrene
    • UNII-C7WB5C8JTR
    • Styrene,.alpha.-dimethyl-
    • 1-Methyl-2-isopropenylbenzene
    • 1-isopropenyl-2-methyl-benzene
    • DTXCID50147272
    • 1-METHYL-2-ETHENYL BENZENE
    • AKOS009156755
    • 1-Methyl-2-(1-methylethenyl)-benzene
    • AS-61585
    • 2-Isopropenyltoluene (stabilized with BHT)
    • DB-046954
    • CS-0182189
    • I0298
    • NS00037584
    • D91121
    • 230-996-4

  • Applications

    O,alpha-dimethylstyrene (CAS 7399-49-7) is a substituted styrenic monomer bearing an ortho-methyl group and an isopropenyl double bond, used primarily as a functional co-monomer to tailor engineering resin properties: it copolymerizes under free-radical or cationic conditions with styrene, (meth)acrylates, maleic anhydride, and vinyl esters to raise Tg, hardness, and solvent resistance, enhance thermal stability, and reduce shrinkage; the ortho-methyl also lowers volatility and odor versus styrene, making it valuable as a reactive diluent/modifier in unsaturated polyester and vinyl ester resins, UV-curable systems, heat-resistant coatings and inks, adhesives, and composites, as well as in specialty styrenic copolymers for electronics and automotive parts; additionally, its internal double bond is a convenient handle (Friedel–Crafts alkylation, hydroboration–oxidation, epoxidation) to access cumyl-type alcohols/ketones and other benzylic derivatives, so it serves as an intermediate for antioxidants, stabilizers, polymer additives, and fragrance ingredients/intermediates.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1882.02
    methanol 1650.52
    isopropanol 1459.55
    water 1.17
    ethyl acetate 2719.74
    n-propanol 1725.75
    acetone 3030.7
    n-butanol 1721.09
    acetonitrile 3204.28
    DMF 1924.0
    toluene 2304.08
    isobutanol 1306.55
    1,4-dioxane 6378.17
    methyl acetate 2267.87
    THF 7325.11
    2-butanone 2495.23
    n-pentanol 1286.46
    sec-butanol 1351.38
    n-hexane 2098.69
    ethylene glycol 150.86
    NMP 2322.15
    cyclohexane 1986.84
    DMSO 1883.21
    n-butyl acetate 3290.05
    n-octanol 953.77
    chloroform 4327.19
    n-propyl acetate 1638.11
    acetic acid 751.72
    dichloromethane 4414.99
    cyclohexanone 3904.73
    propylene glycol 200.01
    isopropyl acetate 1651.81
    DMAc 1136.96
    2-ethoxyethanol 1166.71
    isopentanol 1393.73
    n-heptane 1196.43
    ethyl formate 1320.92
    1,2-dichloroethane 3414.27
    n-hexanol 2503.37
    2-methoxyethanol 1470.33
    isobutyl acetate 1124.4
    tetrachloromethane 1324.87
    n-pentyl acetate 1276.0
    transcutol 2488.92
    n-heptanol 903.2
    ethylbenzene 1075.78
    MIBK 1606.47
    2-propoxyethanol 2563.52
    tert-butanol 1781.38
    MTBE 3020.07
    2-butoxyethanol 1021.34
    propionic acid 846.6
    o-xylene 924.01
    formic acid 160.59
    diethyl ether 5519.41
    m-xylene 1294.21
    p-xylene 1097.52
    chlorobenzene 1848.48
    dimethyl carbonate 753.63
    n-octane 415.1
    formamide 329.05
    cyclopentanone 3780.58
    2-pentanone 2541.6
    anisole 1593.18
    cyclopentyl methyl ether 4204.62
    gamma-butyrolactone 3318.95
    1-methoxy-2-propanol 1349.28
    pyridine 2962.38
    3-pentanone 2059.79
    furfural 1837.98
    n-dodecane 228.94
    diethylene glycol 886.55
    diisopropyl ether 1645.06
    tert-amyl alcohol 1348.61
    acetylacetone 1794.47
    n-hexadecane 270.25
    acetophenone 893.36
    methyl propionate 1881.57
    isopentyl acetate 2173.6
    trichloroethylene 3826.42
    n-nonanol 786.23
    cyclohexanol 1845.03
    benzyl alcohol 723.75
    2-ethylhexanol 1637.69
    isooctanol 737.92
    dipropyl ether 3121.33
    1,2-dichlorobenzene 1201.52
    ethyl lactate 402.47
    propylene carbonate 1563.61
    n-methylformamide 1024.39
    2-pentanol 1396.29
    n-pentane 1388.48
    1-propoxy-2-propanol 1841.83
    1-methoxy-2-propyl acetate 1609.84
    2-(2-methoxypropoxy) propanol 707.36
    mesitylene 819.06
    ε-caprolactone 2772.03
    p-cymene 607.53
    epichlorohydrin 4249.51
    1,1,1-trichloroethane 3215.16
    2-aminoethanol 362.23
    morpholine-4-carbaldehyde 2415.33
    sulfolane 2919.61
    2,2,4-trimethylpentane 408.62
    2-methyltetrahydrofuran 5786.84
    n-hexyl acetate 1744.01
    isooctane 393.51
    2-(2-butoxyethoxy)ethanol 1105.79
    sec-butyl acetate 1077.26
    tert-butyl acetate 1673.07
    decalin 628.1
    glycerin 241.05
    diglyme 2104.99
    acrylic acid 555.13
    isopropyl myristate 680.59
    n-butyric acid 1468.98
    acetyl acetate 1107.67
    di(2-ethylhexyl) phthalate 372.93
    ethyl propionate 1390.78
    nitromethane 1810.41
    1,2-diethoxyethane 2571.18
    benzonitrile 1167.41
    trioctyl phosphate 366.27
    1-bromopropane 3088.32
    gamma-valerolactone 3391.74
    n-decanol 595.78
    triethyl phosphate 471.97
    4-methyl-2-pentanol 781.05
    propionitrile 2425.53
    vinylene carbonate 1314.71
    1,1,2-trichlorotrifluoroethane 1052.53
    DMS 911.71
    cumene 623.7
    2-octanol 728.54
    2-hexanone 1936.52
    octyl acetate 827.09
    limonene 1116.38
    1,2-dimethoxyethane 2860.42
    ethyl orthosilicate 515.19
    tributyl phosphate 448.83
    diacetone alcohol 1206.04
    N,N-dimethylaniline 869.11
    acrylonitrile 1891.45
    aniline 1355.59
    1,3-propanediol 659.09
    bromobenzene 2127.46
    dibromomethane 3612.86
    1,1,2,2-tetrachloroethane 2911.98
    2-methyl-cyclohexyl acetate 971.07
    tetrabutyl urea 561.94
    diisobutyl methanol 761.24
    2-phenylethanol 1071.83
    styrene 1284.28
    dioctyl adipate 642.12
    dimethyl sulfate 833.0
    ethyl butyrate 1674.66
    methyl lactate 448.68
    butyl lactate 526.48
    diethyl carbonate 828.22
    propanediol butyl ether 575.8
    triethyl orthoformate 951.17
    p-tert-butyltoluene 612.23
    methyl 4-tert-butylbenzoate 726.56
    morpholine 5306.34
    tert-butylamine 1455.06
    n-dodecanol 478.79
    dimethoxymethane 2581.76
    ethylene carbonate 1398.32
    cyrene 595.12
    2-ethoxyethyl acetate 1256.38
    2-ethylhexyl acetate 1864.22
    1,2,4-trichlorobenzene 1210.34
    4-methylpyridine 2995.17
    dibutyl ether 2053.5
    2,6-dimethyl-4-heptanol 761.24
    DEF 2258.27
    dimethyl isosorbide 1336.94
    tetrachloroethylene 2045.4
    eugenol 625.08
    triacetin 706.36
    span 80 681.94
    1,4-butanediol 311.37
    1,1-dichloroethane 3576.38
    2-methyl-1-pentanol 1074.01
    methyl formate 940.5
    2-methyl-1-butanol 1365.17
    n-decane 423.28
    butyronitrile 2671.3
    3,7-dimethyl-1-octanol 859.94
    1-chlorooctane 1126.39
    1-chlorotetradecane 423.44
    n-nonane 498.11
    undecane 298.35
    tert-butylcyclohexane 614.92
    cyclooctane 797.14
    cyclopentanol 1719.19
    tetrahydropyran 7182.21
    tert-amyl methyl ether 2089.58
    2,5,8-trioxanonane 1210.97
    1-hexene 3227.27
    2-isopropoxyethanol 988.4
    2,2,2-trifluoroethanol 266.41
    methyl butyrate 1709.7

    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
Pinus pinaster (France) 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.01%
Cistus (Spain) 2 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 0.1%
Indian curry leaf tree (leaf) Murraya koenigii Spreng., fam. Rutaceae 0.1%
Eucalyptus camaldulensis (USA-Florida) Eucalyptus camaldulensis Dehn., fam. Myrtaceae 0.1%