4-(Allyloxy)-m-xylene

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  • Identifiers

    CAS number
    93981-82-9

    Molecular formula
    C11H14O

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

  • Odor profile

    Fragrance
    Herbal 63.66%
    Spicy 52.65%
    Floral 43.96%
    Green 42.65%
    Anisic 35.98%
    Sweet 35.85%
    Earthy 35.24%
    Phenolic 35.08%
    Woody 31.22%
    Mint 31.01%

     

    Flavor
    Sweet 68.2%
    Spicy 56.63%
    Floral 54.87%
    Fruity 49.35%
    Woody 41.81%
    Vanilla 36.91%
    Powdery 36.81%
    Spice 34.61%
    Cherry 32.75%
    Flower 31.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.54 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    225°C

    Flash point

    • 78.0 ˚C est.

  • Synonyms

    • 4-(Allyloxy)-m-xylene
    • 93981-82-9
    • EINECS 301-170-1
    • 2,4-dimethyl(allyloxy)benzene
    • 1-(allyloxy)-2,4-dimethylbenzene
    • 2SE8AS62D3
    • SCHEMBL8161827
    • Allyl 2,4-dimethylphenyl ether
    • DTXSID30240098
    • ZJSJAHBINHESJA-UHFFFAOYSA-N
    • AKOS005158893
    • 2,4-Dimethyl-1-(2-propen-1-yloxy)benzene
    • Benzene, 2,4-dimethyl-1-(2-propenyloxy)-
    • NS00039848
    • Benzene, 2,4-dimethyl-1-(2-propen-1-yloxy)-

  • Applications

    4-(Allyloxy)-m-xylene (CAS 93981-82-9) is used primarily as a fragrance intermediate and odorant precursor in perfumery and cosmetics, where its aromatic core and allyl ether group facilitate the synthesis of broader fragrance ingredients and controlled aroma release. It also serves as a reactive monomer or crosslinking component in polymer and coating systems, including UV-curable coatings and specialty resins, due to the pendant allyl group that participates in radical curing. In industrial manufacturing, it is an intermediate for the preparation of other specialty chemicals and functional monomers used in coatings, adhesives, and related formulations. In adhesive formulations, it can act as a crosslinking agent, contributing to film strength and chemical resistance under appropriate curing conditions. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1018.38
    methanol 781.72
    isopropanol 632.29
    water 0.29
    ethyl acetate 1423.79
    n-propanol 769.77
    acetone 649.88
    n-butanol 917.26
    acetonitrile 870.43
    DMF 372.69
    toluene 739.53
    isobutanol 571.09
    1,4-dioxane 1912.96
    methyl acetate 952.46
    THF 1803.6
    2-butanone 876.83
    n-pentanol 820.66
    sec-butanol 762.55
    n-hexane 652.24
    ethylene glycol 73.7
    NMP 344.24
    cyclohexane 691.1
    DMSO 446.59
    n-butyl acetate 2061.71
    n-octanol 524.99
    chloroform 2844.18
    n-propyl acetate 920.95
    acetic acid 472.99
    dichloromethane 2924.61
    cyclohexanone 919.52
    propylene glycol 123.49
    isopropyl acetate 630.79
    DMAc 417.16
    2-ethoxyethanol 736.34
    isopentanol 803.83
    n-heptane 669.87
    ethyl formate 671.77
    1,2-dichloroethane 1592.39
    n-hexanol 1445.67
    2-methoxyethanol 752.79
    isobutyl acetate 583.27
    tetrachloromethane 586.68
    n-pentyl acetate 628.44
    transcutol 2250.1
    n-heptanol 485.95
    ethylbenzene 573.78
    MIBK 497.15
    2-propoxyethanol 1152.54
    tert-butanol 877.39
    MTBE 1315.42
    2-butoxyethanol 557.06
    propionic acid 398.35
    o-xylene 413.52
    formic acid 92.68
    diethyl ether 2057.06
    m-xylene 461.3
    p-xylene 572.71
    chlorobenzene 791.6
    dimethyl carbonate 222.35
    n-octane 209.69
    formamide 153.57
    cyclopentanone 728.19
    2-pentanone 791.9
    anisole 785.71
    cyclopentyl methyl ether 947.84
    gamma-butyrolactone 752.53
    1-methoxy-2-propanol 549.73
    pyridine 1082.9
    3-pentanone 649.99
    furfural 675.33
    n-dodecane 124.0
    diethylene glycol 461.27
    diisopropyl ether 559.31
    tert-amyl alcohol 829.35
    acetylacetone 542.18
    n-hexadecane 137.35
    acetophenone 532.08
    methyl propionate 681.25
    isopentyl acetate 1302.19
    trichloroethylene 2369.88
    n-nonanol 469.91
    cyclohexanol 695.61
    benzyl alcohol 446.12
    2-ethylhexanol 1005.21
    isooctanol 384.96
    dipropyl ether 1715.53
    1,2-dichlorobenzene 658.16
    ethyl lactate 246.42
    propylene carbonate 597.49
    n-methylformamide 241.75
    2-pentanol 699.81
    n-pentane 460.13
    1-propoxy-2-propanol 935.31
    1-methoxy-2-propyl acetate 814.4
    2-(2-methoxypropoxy) propanol 545.1
    mesitylene 300.03
    ε-caprolactone 876.95
    p-cymene 402.69
    epichlorohydrin 1458.42
    1,1,1-trichloroethane 1514.55
    2-aminoethanol 197.75
    morpholine-4-carbaldehyde 617.53
    sulfolane 580.34
    2,2,4-trimethylpentane 172.92
    2-methyltetrahydrofuran 1666.76
    n-hexyl acetate 896.32
    isooctane 156.68
    2-(2-butoxyethoxy)ethanol 716.09
    sec-butyl acetate 616.91
    tert-butyl acetate 638.53
    decalin 268.68
    glycerin 131.5
    diglyme 1324.98
    acrylic acid 249.33
    isopropyl myristate 381.13
    n-butyric acid 743.7
    acetyl acetate 590.52
    di(2-ethylhexyl) phthalate 272.62
    ethyl propionate 737.62
    nitromethane 581.39
    1,2-diethoxyethane 1774.7
    benzonitrile 633.65
    trioctyl phosphate 216.76
    1-bromopropane 1587.8
    gamma-valerolactone 798.92
    n-decanol 360.63
    triethyl phosphate 345.26
    4-methyl-2-pentanol 395.42
    propionitrile 792.53
    vinylene carbonate 541.54
    1,1,2-trichlorotrifluoroethane 548.23
    DMS 463.93
    cumene 362.8
    2-octanol 351.71
    2-hexanone 862.13
    octyl acetate 460.82
    limonene 582.81
    1,2-dimethoxyethane 1542.06
    ethyl orthosilicate 392.46
    tributyl phosphate 285.85
    diacetone alcohol 492.1
    N,N-dimethylaniline 466.01
    acrylonitrile 586.22
    aniline 492.43
    1,3-propanediol 383.07
    bromobenzene 962.18
    dibromomethane 2254.24
    1,1,2,2-tetrachloroethane 1739.6
    2-methyl-cyclohexyl acetate 637.43
    tetrabutyl urea 325.13
    diisobutyl methanol 452.58
    2-phenylethanol 623.0
    styrene 672.54
    dioctyl adipate 443.42
    dimethyl sulfate 199.73
    ethyl butyrate 1207.8
    methyl lactate 163.79
    butyl lactate 327.12
    diethyl carbonate 730.42
    propanediol butyl ether 367.18
    triethyl orthoformate 692.32
    p-tert-butyltoluene 370.77
    methyl 4-tert-butylbenzoate 408.02
    morpholine 1717.93
    tert-butylamine 790.49
    n-dodecanol 294.84
    dimethoxymethane 668.18
    ethylene carbonate 529.42
    cyrene 340.12
    2-ethoxyethyl acetate 770.02
    2-ethylhexyl acetate 1145.95
    1,2,4-trichlorobenzene 661.19
    4-methylpyridine 1015.27
    dibutyl ether 1028.13
    2,6-dimethyl-4-heptanol 452.58
    DEF 681.55
    dimethyl isosorbide 838.24
    tetrachloroethylene 1127.28
    eugenol 397.2
    triacetin 505.71
    span 80 448.66
    1,4-butanediol 194.94
    1,1-dichloroethane 1639.51
    2-methyl-1-pentanol 783.06
    methyl formate 223.27
    2-methyl-1-butanol 776.39
    n-decane 209.4
    butyronitrile 1133.7
    3,7-dimethyl-1-octanol 516.51
    1-chlorooctane 546.28
    1-chlorotetradecane 227.83
    n-nonane 240.74
    undecane 153.82
    tert-butylcyclohexane 257.08
    cyclooctane 277.42
    cyclopentanol 495.54
    tetrahydropyran 2198.93
    tert-amyl methyl ether 896.56
    2,5,8-trioxanonane 862.75
    1-hexene 1211.2
    2-isopropoxyethanol 581.2
    2,2,2-trifluoroethanol 121.8
    methyl butyrate 921.08

    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