4-Isopropenyl-o-xylene

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  • Identifiers

    CAS number
    18908-16-2

    Molecular formula
    C11H14

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 61.97%
    Spicy 49.25%
    Woody 43.08%
    Citrus 42.48%
    Phenolic 42.1%
    Terpenic 40.97%
    Musty 35.71%
    Lemon 32.98%
    Nutty 32.32%
    Leathery 32.3%

     

    Flavor
    Woody 36.05%
    Phenolic 35.87%
    Spicy 32.23%
    Camphor 30.55%
    Citrus 29.14%
    Guaiacol 27.45%
    Medicinal 27.03%
    Herbal 26.58%
    Styrene 25.34%
    Plastic 24.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    9.1 (weak base)

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    211°C

    Flash point

    • 74.27 ˚C est.

  • Synonyms

    • 4-Isopropenyl-o-xylene
    • 18908-16-2
    • 1,2-dimethyl-4-(prop-1-en-2-yl)benzene
    • UNII-D9A2L38802
    • 1,2-dimethyl-4-isopropenylbenzene
    • D9A2L38802
    • 1,2-Dimethyl-4-(1-methylethenyl)-benzene
    • Benzene, 1,2-dimethyl-4-(1-methylethenyl)-
    • NSC 87580
    • NSC-87580
    • 1,2-dimethyl-4-prop-1-en-2-ylbenzene
    • NSC87580
    • 1,2-DIMETHYL-4-(1-METHYLETHENYL)BENZENE
    • SCHEMBL1363337
    • DTXSID9051826
    • SCHEMBL28721628
    • SCHEMBL31484336
    • 3,4-dimethyl-.alpha.-methylstyrene
    • MFCD00026053
    • AKOS013993817
    • STYRENE, .ALPHA.,3,4-TRIMETHYL-
    • Q27276268
    • 18908-16-2

  • Applications

    4-Isopropenyl-o-xylene (CAS 18908-16-2) is a reactive aromatic monomer featuring an isopropenyl group attached to an ortho-xylene ring, primarily used as an intermediate in the synthesis of specialty polymers and resins. In coatings and inks, it serves as a reactive monomer that participates in polymer network formation and helps tailor film properties. In adhesives, it can copolymerize into networks to impart crosslinking and performance characteristics. In industrial manufacturing, it functions as a building block for plastics, resins, and specialty chemicals used in formulation of advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 319.13
    methanol 100.13
    isopropanol 339.11
    water 0.14
    ethyl acetate 969.99
    n-propanol 365.29
    acetone 808.02
    n-butanol 402.63
    acetonitrile 652.53
    DMF 693.39
    toluene 767.64
    isobutanol 281.92
    1,4-dioxane 1492.87
    methyl acetate 801.19
    THF 1967.75
    2-butanone 1076.27
    n-pentanol 289.24
    sec-butanol 403.78
    n-hexane 434.81
    ethylene glycol 21.46
    NMP 509.21
    cyclohexane 390.98
    DMSO 305.24
    n-butyl acetate 1432.56
    n-octanol 384.6
    chloroform 1661.94
    n-propyl acetate 542.99
    acetic acid 141.3
    dichloromethane 1624.03
    cyclohexanone 1132.01
    propylene glycol 59.03
    isopropyl acetate 540.31
    DMAc 595.31
    2-ethoxyethanol 253.7
    isopentanol 340.32
    n-heptane 689.25
    ethyl formate 444.96
    1,2-dichloroethane 1014.32
    n-hexanol 760.52
    2-methoxyethanol 321.25
    isobutyl acetate 396.03
    tetrachloromethane 412.01
    n-pentyl acetate 521.35
    transcutol 868.52
    n-heptanol 334.53
    ethylbenzene 552.69
    MIBK 481.01
    2-propoxyethanol 612.91
    tert-butanol 504.79
    MTBE 938.18
    2-butoxyethanol 345.29
    propionic acid 212.07
    o-xylene 435.14
    formic acid 17.55
    diethyl ether 1190.62
    m-xylene 500.98
    p-xylene 648.7
    chlorobenzene 656.26
    dimethyl carbonate 229.97
    n-octane 206.24
    formamide 60.15
    cyclopentanone 1204.98
    2-pentanone 869.28
    anisole 730.1
    cyclopentyl methyl ether 901.2
    gamma-butyrolactone 925.57
    1-methoxy-2-propanol 336.61
    pyridine 1112.26
    3-pentanone 746.27
    furfural 585.25
    n-dodecane 122.45
    diethylene glycol 169.66
    diisopropyl ether 410.04
    tert-amyl alcohol 485.11
    acetylacetone 650.15
    n-hexadecane 143.57
    acetophenone 488.39
    methyl propionate 635.56
    isopentyl acetate 992.99
    trichloroethylene 1515.92
    n-nonanol 352.83
    cyclohexanol 372.67
    benzyl alcohol 291.85
    2-ethylhexanol 633.27
    isooctanol 278.5
    dipropyl ether 1517.74
    1,2-dichlorobenzene 518.05
    ethyl lactate 146.24
    propylene carbonate 496.95
    n-methylformamide 225.44
    2-pentanol 351.04
    n-pentane 266.43
    1-propoxy-2-propanol 601.05
    1-methoxy-2-propyl acetate 697.16
    2-(2-methoxypropoxy) propanol 395.64
    mesitylene 333.72
    ε-caprolactone 774.16
    p-cymene 455.33
    epichlorohydrin 1137.62
    1,1,1-trichloroethane 1151.84
    2-aminoethanol 67.05
    morpholine-4-carbaldehyde 642.69
    sulfolane 597.67
    2,2,4-trimethylpentane 117.65
    2-methyltetrahydrofuran 1463.81
    n-hexyl acetate 713.29
    isooctane 106.84
    2-(2-butoxyethoxy)ethanol 472.77
    sec-butyl acetate 411.62
    tert-butyl acetate 571.97
    decalin 217.36
    glycerin 54.85
    diglyme 895.0
    acrylic acid 134.59
    isopropyl myristate 373.96
    n-butyric acid 393.77
    acetyl acetate 437.84
    di(2-ethylhexyl) phthalate 224.0
    ethyl propionate 530.16
    nitromethane 396.35
    1,2-diethoxyethane 1019.64
    benzonitrile 469.79
    trioctyl phosphate 182.33
    1-bromopropane 1016.58
    gamma-valerolactone 961.69
    n-decanol 285.92
    triethyl phosphate 287.7
    4-methyl-2-pentanol 223.38
    propionitrile 675.12
    vinylene carbonate 431.99
    1,1,2-trichlorotrifluoroethane 330.39
    DMS 414.64
    cumene 391.37
    2-octanol 282.44
    2-hexanone 661.3
    octyl acetate 434.7
    limonene 632.75
    1,2-dimethoxyethane 859.28
    ethyl orthosilicate 297.59
    tributyl phosphate 222.73
    diacetone alcohol 392.35
    N,N-dimethylaniline 519.24
    acrylonitrile 530.08
    aniline 414.59
    1,3-propanediol 137.84
    bromobenzene 780.98
    dibromomethane 1257.68
    1,1,2,2-tetrachloroethane 1031.33
    2-methyl-cyclohexyl acetate 534.95
    tetrabutyl urea 312.01
    diisobutyl methanol 363.99
    2-phenylethanol 451.35
    styrene 586.95
    dioctyl adipate 404.06
    dimethyl sulfate 241.24
    ethyl butyrate 887.36
    methyl lactate 135.75
    butyl lactate 234.95
    diethyl carbonate 492.67
    propanediol butyl ether 221.14
    triethyl orthoformate 514.43
    p-tert-butyltoluene 445.95
    methyl 4-tert-butylbenzoate 455.67
    morpholine 1280.79
    tert-butylamine 418.71
    n-dodecanol 239.89
    dimethoxymethane 623.27
    ethylene carbonate 403.87
    cyrene 261.57
    2-ethoxyethyl acetate 566.45
    2-ethylhexyl acetate 914.78
    1,2,4-trichlorobenzene 535.02
    4-methylpyridine 1049.54
    dibutyl ether 870.94
    2,6-dimethyl-4-heptanol 363.99
    DEF 688.69
    dimethyl isosorbide 750.64
    tetrachloroethylene 615.96
    eugenol 333.2
    triacetin 401.59
    span 80 341.28
    1,4-butanediol 58.16
    1,1-dichloroethane 1164.18
    2-methyl-1-pentanol 297.02
    methyl formate 204.79
    2-methyl-1-butanol 338.2
    n-decane 211.19
    butyronitrile 782.86
    3,7-dimethyl-1-octanol 386.46
    1-chlorooctane 483.35
    1-chlorotetradecane 215.84
    n-nonane 231.03
    undecane 155.63
    tert-butylcyclohexane 231.88
    cyclooctane 188.76
    cyclopentanol 374.67
    tetrahydropyran 1704.51
    tert-amyl methyl ether 693.87
    2,5,8-trioxanonane 610.33
    1-hexene 902.75
    2-isopropoxyethanol 253.14
    2,2,2-trifluoroethanol 56.59
    methyl butyrate 614.96

    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