2-M-Tolylpropene

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  • Identifiers

    CAS number
    1124-20-5

    Molecular formula
    C10H12

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 61.88%
    Spicy 50.99%
    Woody 46.53%
    Citrus 42.47%
    Phenolic 41.81%
    Terpenic 40.57%
    Nutty 35.62%
    Floral 35.32%
    Sweet 35.24%
    Lemon 34.42%

     

    Flavor
    Woody 37.81%
    Citrus 36.89%
    Phenolic 36.68%
    Spicy 36.4%
    Herbal 30.71%
    Guaiacol 28.79%
    Plastic 28.76%
    Spice 28.7%
    Camphor 28.15%
    Medicinal 27.36%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.67 (weak base)

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    184°C

    Flash point

    • 59.54 ˚C est.

  • Synonyms

    • 1124-20-5
    • alpha,3-Dimethylstyrene
    • m,alpha-Dimethylstyrene
    • m-Isopropenyltoluene
    • 2-M-Tolylpropene
    • m-Cymenene
    • Benzene, 1-methyl-3-(1-methylethenyl)-
    • 1-ISOPROPENYL-3-METHYLBENZENE
    • m-Methylisopropenylbenzene
    • 3EY8GVM0DX
    • Styrene, m,.alpha.-dimethyl-
    • EINECS 214-394-9
    • .ALPHA.,M-DIMETHYLSTYRENE
    • M,.ALPHA.-DIMETHYLSTYRENE
    • DTXSID30150027
    • .ALPHA.,3-DIMETHYLSTYRENE
    • .ALPHA.-METHYL-M-METHYLSTYRENE
    • RefChem:473949
    • alpha-methyl-m-methylstyrene
    • ALPHA,M-DIMETHYLSTYRENE
    • DTXCID0072518
    • STYRENE, M,ALPHA-DIMETHYL-
    • 214-394-9
    • 1-methyl-3-(prop-1-en-2-yl)benzene
    • 1-methyl-3-prop-1-en-2-ylbenzene
    • MFCD08060972
    • 1-Methyl-3-(1-methylethenyl)benzene
    • Isopropenyl toluene b
    • 1-Isopropenyl-3-Methyl-Benzene
    • UNII-3EY8GVM0DX
    • alpha ,3-Dimethylstyrene
    • 2-(3-Methylphenyl)propene
    • SCHEMBL610251
    • SCHEMBL610252
    • orb1985610
    • Styrene, ar,.alpha.-dimethyl-
    • SCHEMBL29444189
    • 1-methyl-3.alpha.-methylstyrene
    • CHEBI:229146
    • AC1343
    • AKOS006222934
    • AB91884
    • CS-12811
    • SY225337
    • 1-Isopropenyl-3-methylbenzene, AldrichCPR
    • CS-0314331
    • NS00023640
    • F721019
    • Q27257133
    • 1124-20-5

  • Applications

    2-M-Tolylpropene (CAS 1124-20-5) is an arylpropene compound commonly used as an organic synthesis intermediate and can function as a monomer or comonomer in the manufacture of styrene-type polymers and copolymers; it also serves as a precursor to specialty chemicals and aryl derivatives in the chemical industry; in coatings and inks it may act as a monomer or reactive diluent; and it is evaluated for fragrance-related applications in perfumery and fragrance chemistry, with potential use as a fragrance component in formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 458.23
    methanol 244.68
    isopropanol 494.23
    water 0.2
    ethyl acetate 1134.72
    n-propanol 539.44
    acetone 1296.01
    n-butanol 632.34
    acetonitrile 786.46
    DMF 1131.11
    toluene 734.6
    isobutanol 452.96
    1,4-dioxane 1963.17
    methyl acetate 976.55
    THF 2671.06
    2-butanone 1307.88
    n-pentanol 477.2
    sec-butanol 614.45
    n-hexane 822.56
    ethylene glycol 56.19
    NMP 922.21
    cyclohexane 503.6
    DMSO 724.02
    n-butyl acetate 1402.81
    n-octanol 580.4
    chloroform 1761.13
    n-propyl acetate 695.49
    acetic acid 196.99
    dichloromethane 1484.42
    cyclohexanone 1554.45
    propylene glycol 130.53
    isopropyl acetate 741.35
    DMAc 883.31
    2-ethoxyethanol 439.82
    isopentanol 569.44
    n-heptane 590.37
    ethyl formate 453.05
    1,2-dichloroethane 1183.13
    n-hexanol 1183.63
    2-methoxyethanol 559.95
    isobutyl acetate 550.91
    tetrachloromethane 393.13
    n-pentyl acetate 585.81
    transcutol 1436.25
    n-heptanol 510.83
    ethylbenzene 593.14
    MIBK 793.34
    2-propoxyethanol 1146.52
    tert-butanol 734.39
    MTBE 1420.31
    2-butoxyethanol 577.58
    propionic acid 300.46
    o-xylene 474.18
    formic acid 31.04
    diethyl ether 1583.22
    m-xylene 548.23
    p-xylene 610.98
    chlorobenzene 694.61
    dimethyl carbonate 371.85
    n-octane 243.4
    formamide 66.99
    cyclopentanone 1724.09
    2-pentanone 1175.43
    anisole 895.89
    cyclopentyl methyl ether 1484.96
    gamma-butyrolactone 1307.55
    1-methoxy-2-propanol 673.29
    pyridine 1010.11
    3-pentanone 1013.8
    furfural 807.85
    n-dodecane 154.37
    diethylene glycol 400.38
    diisopropyl ether 622.57
    tert-amyl alcohol 717.07
    acetylacetone 920.77
    n-hexadecane 176.06
    acetophenone 574.71
    methyl propionate 833.78
    isopentyl acetate 1078.82
    trichloroethylene 1620.53
    n-nonanol 499.03
    cyclohexanol 618.38
    benzyl alcohol 383.94
    2-ethylhexanol 841.62
    isooctanol 428.28
    dipropyl ether 1516.55
    1,2-dichlorobenzene 596.13
    ethyl lactate 256.22
    propylene carbonate 758.54
    n-methylformamide 330.43
    2-pentanol 585.34
    n-pentane 404.63
    1-propoxy-2-propanol 985.11
    1-methoxy-2-propyl acetate 904.6
    2-(2-methoxypropoxy) propanol 527.33
    mesitylene 388.93
    ε-caprolactone 1107.96
    p-cymene 382.04
    epichlorohydrin 1663.87
    1,1,1-trichloroethane 1305.33
    2-aminoethanol 142.13
    morpholine-4-carbaldehyde 987.8
    sulfolane 1205.36
    2,2,4-trimethylpentane 182.15
    2-methyltetrahydrofuran 1970.0
    n-hexyl acetate 945.69
    isooctane 191.38
    2-(2-butoxyethoxy)ethanol 744.78
    sec-butyl acetate 537.15
    tert-butyl acetate 815.2
    decalin 310.46
    glycerin 140.05
    diglyme 1231.57
    acrylic acid 201.34
    isopropyl myristate 446.99
    n-butyric acid 557.41
    acetyl acetate 501.59
    di(2-ethylhexyl) phthalate 267.22
    ethyl propionate 683.67
    nitromethane 527.53
    1,2-diethoxyethane 1196.15
    benzonitrile 522.75
    trioctyl phosphate 240.29
    1-bromopropane 1179.61
    gamma-valerolactone 1429.91
    n-decanol 405.03
    triethyl phosphate 321.17
    4-methyl-2-pentanol 395.11
    propionitrile 767.5
    vinylene carbonate 555.39
    1,1,2-trichlorotrifluoroethane 587.26
    DMS 572.67
    cumene 424.87
    2-octanol 418.44
    2-hexanone 952.55
    octyl acetate 541.28
    limonene 621.62
    1,2-dimethoxyethane 1283.14
    ethyl orthosilicate 331.38
    tributyl phosphate 291.74
    diacetone alcohol 673.05
    N,N-dimethylaniline 605.49
    acrylonitrile 657.19
    aniline 498.08
    1,3-propanediol 249.69
    bromobenzene 837.65
    dibromomethane 1214.71
    1,1,2,2-tetrachloroethane 1375.02
    2-methyl-cyclohexyl acetate 588.66
    tetrabutyl urea 378.02
    diisobutyl methanol 464.07
    2-phenylethanol 606.87
    styrene 648.47
    dioctyl adipate 453.57
    dimethyl sulfate 471.54
    ethyl butyrate 846.33
    methyl lactate 275.42
    butyl lactate 337.96
    diethyl carbonate 465.39
    propanediol butyl ether 424.0
    triethyl orthoformate 509.08
    p-tert-butyltoluene 389.15
    methyl 4-tert-butylbenzoate 529.72
    morpholine 1699.22
    tert-butylamine 582.63
    n-dodecanol 330.78
    dimethoxymethane 1017.58
    ethylene carbonate 536.74
    cyrene 409.94
    2-ethoxyethyl acetate 629.57
    2-ethylhexyl acetate 908.13
    1,2,4-trichlorobenzene 656.07
    4-methylpyridine 1120.78
    dibutyl ether 1072.18
    2,6-dimethyl-4-heptanol 464.07
    DEF 1038.61
    dimethyl isosorbide 858.69
    tetrachloroethylene 744.74
    eugenol 450.23
    triacetin 537.18
    span 80 501.22
    1,4-butanediol 117.36
    1,1-dichloroethane 1385.83
    2-methyl-1-pentanol 481.93
    methyl formate 297.04
    2-methyl-1-butanol 555.83
    n-decane 259.84
    butyronitrile 833.02
    3,7-dimethyl-1-octanol 573.35
    1-chlorooctane 671.85
    1-chlorotetradecane 275.29
    n-nonane 302.08
    undecane 195.3
    tert-butylcyclohexane 334.87
    cyclooctane 274.65
    cyclopentanol 612.88
    tetrahydropyran 2106.25
    tert-amyl methyl ether 1051.74
    2,5,8-trioxanonane 812.57
    1-hexene 1398.83
    2-isopropoxyethanol 444.38
    2,2,2-trifluoroethanol 80.57
    methyl butyrate 830.31

    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