p-Tolyl Crotonate

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  • Identifiers

    CAS number
    41873-74-9

    Molecular formula
    C11H12O2

    SMILES
    C/C=C/C(=O)OC1=CC=C(C=C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 50.51%
    Spicy 46.55%
    Floral 46.51%
    Balsamic 46.44%
    Sweet 44.58%
    Herbal 41.45%
    Woody 38.0%
    Aromatic 35.84%
    Animal 34.27%
    Honey 33.35%

     

    Flavor
    Sweet 59.61%
    Balsam 36.85%
    Phenolic 34.85%
    Cinnamon 30.63%
    Spicy 30.26%
    Woody 30.24%
    Spice 30.03%
    Honey 28.73%
    Powdery 27.21%
    Floral 26.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.77 (weak base)

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 106.43 ˚C est.

  • Synonyms

    • p-Tolyl Crotonate
    • 2-Butenoic acid, 4-methylphenyl ester, (E)-
    • RefChem:858232
    • 679-608-9
    • Crotonic acid p-cresyl ester
    • 41873-74-9
    • (E)-p-Tolyl but-2-enoate
    • (4-methylphenyl) (E)-but-2-enoate
    • MFCD00059385
    • p-Cresyl Crotonate
    • Crotonic Acid p-Tolyl Ester
    • NSC181034
    • p-tolyl (E)-but-2-enoate
    • SCHEMBL28711842
    • 4-Methylphenyl (2E)-2-butenoate #
    • AKOS025295313
    • DB-243296
    • 41873-74-9

  • Applications

    p-Tolyl crotonate is primarily used as a reactive monomer and building block in polymer and coating formulations. In industry, it serves as a copolymerizable ester for UV-curable coatings, inks, and adhesive formulations, enabling fast cure and tailored film properties. It is also employed as an intermediate in organic synthesis for the preparation of specialty chemicals and resins. In coatings and polymer applications, it can act as a resin modifier or crosslinking agent to adjust hardness, gloss, and chemical resistance. Additionally, it may be evaluated for fragrance applications as a component in perfumery formulations due to its aryl crotonate structure. Finally, it can be used as a functional monomer in the development of advanced materials, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 571.94
    methanol 596.66
    isopropanol 396.01
    water 0.15
    ethyl acetate 510.7
    n-propanol 467.51
    acetone 709.47
    n-butanol 486.51
    acetonitrile 541.13
    DMF 1522.71
    toluene 321.27
    isobutanol 363.72
    1,4-dioxane 892.56
    methyl acetate 517.48
    THF 973.6
    2-butanone 710.78
    n-pentanol 339.05
    sec-butanol 506.31
    n-hexane 68.25
    ethylene glycol 71.47
    NMP 747.77
    cyclohexane 60.55
    DMSO 935.7
    n-butyl acetate 442.83
    n-octanol 147.1
    chloroform 1328.6
    n-propyl acetate 315.35
    acetic acid 403.2
    dichloromethane 1025.46
    cyclohexanone 708.69
    propylene glycol 160.15
    isopropyl acetate 281.18
    DMAc 1147.96
    2-ethoxyethanol 372.32
    isopentanol 427.91
    n-heptane 17.74
    ethyl formate 262.9
    1,2-dichloroethane 858.1
    n-hexanol 353.3
    2-methoxyethanol 684.98
    isobutyl acetate 196.56
    tetrachloromethane 66.37
    n-pentyl acetate 175.03
    transcutol 1483.07
    n-heptanol 127.36
    ethylbenzene 190.47
    MIBK 289.23
    2-propoxyethanol 514.34
    tert-butanol 536.87
    MTBE 519.25
    2-butoxyethanol 243.1
    propionic acid 309.34
    o-xylene 161.18
    formic acid 102.39
    diethyl ether 564.35
    m-xylene 171.48
    p-xylene 219.8
    chlorobenzene 398.0
    dimethyl carbonate 204.85
    n-octane 9.42
    formamide 231.0
    cyclopentanone 767.3
    2-pentanone 519.45
    anisole 442.46
    cyclopentyl methyl ether 437.21
    gamma-butyrolactone 682.11
    1-methoxy-2-propanol 547.22
    pyridine 800.97
    3-pentanone 372.98
    furfural 607.39
    n-dodecane 10.31
    diethylene glycol 324.31
    diisopropyl ether 127.03
    tert-amyl alcohol 509.63
    acetylacetone 475.7
    n-hexadecane 11.89
    acetophenone 330.1
    methyl propionate 423.24
    isopentyl acetate 362.1
    trichloroethylene 1498.65
    n-nonanol 125.46
    cyclohexanol 367.16
    benzyl alcohol 293.64
    2-ethylhexanol 196.76
    isooctanol 102.31
    dipropyl ether 179.12
    1,2-dichlorobenzene 326.84
    ethyl lactate 142.27
    propylene carbonate 391.69
    n-methylformamide 426.88
    2-pentanol 340.02
    n-pentane 36.08
    1-propoxy-2-propanol 348.45
    1-methoxy-2-propyl acetate 357.79
    2-(2-methoxypropoxy) propanol 319.33
    mesitylene 96.61
    ε-caprolactone 538.39
    p-cymene 76.4
    epichlorohydrin 990.24
    1,1,1-trichloroethane 547.41
    2-aminoethanol 207.68
    morpholine-4-carbaldehyde 680.52
    sulfolane 769.3
    2,2,4-trimethylpentane 26.46
    2-methyltetrahydrofuran 746.85
    n-hexyl acetate 310.0
    isooctane 19.52
    2-(2-butoxyethoxy)ethanol 431.54
    sec-butyl acetate 226.78
    tert-butyl acetate 321.52
    decalin 44.15
    glycerin 188.17
    diglyme 724.8
    acrylic acid 265.03
    isopropyl myristate 108.27
    n-butyric acid 437.0
    acetyl acetate 270.97
    di(2-ethylhexyl) phthalate 108.53
    ethyl propionate 281.66
    nitromethane 718.01
    1,2-diethoxyethane 408.66
    benzonitrile 356.36
    trioctyl phosphate 73.51
    1-bromopropane 508.4
    gamma-valerolactone 791.18
    n-decanol 91.68
    triethyl phosphate 113.69
    4-methyl-2-pentanol 179.94
    propionitrile 438.72
    vinylene carbonate 367.76
    1,1,2-trichlorotrifluoroethane 546.97
    DMS 274.45
    cumene 112.94
    2-octanol 93.44
    2-hexanone 391.19
    octyl acetate 143.96
    limonene 115.98
    1,2-dimethoxyethane 720.64
    ethyl orthosilicate 106.14
    tributyl phosphate 107.62
    diacetone alcohol 402.43
    N,N-dimethylaniline 236.8
    acrylonitrile 524.16
    aniline 393.77
    1,3-propanediol 323.56
    bromobenzene 423.9
    dibromomethane 719.45
    1,1,2,2-tetrachloroethane 1293.43
    2-methyl-cyclohexyl acetate 183.31
    tetrabutyl urea 134.59
    diisobutyl methanol 96.62
    2-phenylethanol 278.56
    styrene 273.89
    dioctyl adipate 163.59
    dimethyl sulfate 290.29
    ethyl butyrate 241.83
    methyl lactate 198.33
    butyl lactate 166.1
    diethyl carbonate 176.35
    propanediol butyl ether 260.59
    triethyl orthoformate 152.31
    p-tert-butyltoluene 76.61
    methyl 4-tert-butylbenzoate 205.03
    morpholine 1114.77
    tert-butylamine 315.75
    n-dodecanol 69.87
    dimethoxymethane 590.46
    ethylene carbonate 300.39
    cyrene 227.37
    2-ethoxyethyl acetate 274.54
    2-ethylhexyl acetate 283.04
    1,2,4-trichlorobenzene 386.47
    4-methylpyridine 866.98
    dibutyl ether 200.46
    2,6-dimethyl-4-heptanol 96.62
    DEF 639.66
    dimethyl isosorbide 412.73
    tetrachloroethylene 600.0
    eugenol 244.29
    triacetin 259.47
    span 80 235.15
    1,4-butanediol 116.03
    1,1-dichloroethane 731.54
    2-methyl-1-pentanol 351.86
    methyl formate 276.6
    2-methyl-1-butanol 437.26
    n-decane 15.78
    butyronitrile 453.64
    3,7-dimethyl-1-octanol 164.56
    1-chlorooctane 99.94
    1-chlorotetradecane 38.75
    n-nonane 15.24
    undecane 12.41
    tert-butylcyclohexane 41.11
    cyclooctane 17.07
    cyclopentanol 315.61
    tetrahydropyran 875.64
    tert-amyl methyl ether 394.98
    2,5,8-trioxanonane 503.32
    1-hexene 299.26
    2-isopropoxyethanol 273.77
    2,2,2-trifluoroethanol 100.82
    methyl butyrate 395.87

    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