4-Methylphenyl 3-methyl-2-butenoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    24700-20-7

    Molecular formula
    C12H14O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 69.33%
    Floral 53.6%
    Green 53.53%
    Sweet 52.49%
    Spicy 45.55%
    Woody 44.47%
    Phenolic 42.93%
    Mint 39.12%
    Fruity 36.58%
    Balsamic 35.57%

     

    Flavor
    Sweet 50.04%
    Woody 44.92%
    Phenolic 38.0%
    Herbal 33.41%
    Spicy 30.78%
    Floral 29.44%
    Spice 28.89%
    Dry 28.57%
    Tobacco 27.76%
    Minty 26.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.61 (weak base)

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Flash point

    • 108.37 ˚C est.

  • Synonyms

    • 2-Butenoic acid, 3-methyl-, 4-methylphenyl ester
    • 24700-20-7
    • p-Tolyl 3-methylcrotonate
    • 4-Methylphenyl 3-methyl-2-butenoate
    • EINECS 246-422-0
    • ITA5K5P42A
    • Crotonic acid, 3-methyl-, p-tolyl ester
    • DTXSID9067017
    • RefChem:525667
    • DTXCID2037132
    • 246-422-0
    • (4-methylphenyl) 3-methylbut-2-enoate
    • 4-methylphenyl 3-methylbut-2-enoate
    • UNII-ITA5K5P42A
    • p-tolyl 3-methylbut-2-enoate
    • p-tolyl3-methylbut-2-enoate
    • WXLMUDDKYMGUFP-UHFFFAOYSA-N
    • (4-Methylphenyl)3-methylbut-2-enoate
    • NS00012131
    • Q27280884
    • 24700-20-7

  • Applications

    4-Methylphenyl 3-methyl-2-butenoate (CAS 24700-20-7) is typically used as an intermediary and fragrance/aroma component in chemical formulations, often serving as a fragrance ingredient or building block for aroma compounds in perfumery and personal care products. It may be evaluated for use as a fragrance additive in household products and could be considered in cosmetic formulations where controlled odor release is desired. In coatings and inks, the ester can act as an odorant adjunct or fragrance modifier to impart or fix fragrance in the final product. In industrial manufacturing, it can serve as a raw material for organic synthesis, enabling downstream synthesis of more complex aroma chemicals or polymer-related derivatives. It may also function as a polymer or plastic material modifier or precursor for specialty polymers, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 683.44
    methanol 664.12
    isopropanol 565.66
    water 0.4
    ethyl acetate 476.81
    n-propanol 579.18
    acetone 751.84
    n-butanol 606.91
    acetonitrile 478.99
    DMF 1329.24
    toluene 220.72
    isobutanol 478.43
    1,4-dioxane 1003.76
    methyl acetate 485.33
    THF 1316.82
    2-butanone 643.33
    n-pentanol 400.94
    sec-butanol 586.34
    n-hexane 104.58
    ethylene glycol 96.14
    NMP 747.79
    cyclohexane 99.15
    DMSO 699.93
    n-butyl acetate 409.28
    n-octanol 209.48
    chloroform 1302.79
    n-propyl acetate 283.05
    acetic acid 583.72
    dichloromethane 842.25
    cyclohexanone 729.95
    propylene glycol 246.65
    isopropyl acetate 302.46
    DMAc 984.5
    2-ethoxyethanol 404.67
    isopentanol 522.03
    n-heptane 34.58
    ethyl formate 302.0
    1,2-dichloroethane 640.79
    n-hexanol 487.93
    2-methoxyethanol 801.26
    isobutyl acetate 197.5
    tetrachloromethane 75.36
    n-pentyl acetate 183.34
    transcutol 1290.44
    n-heptanol 178.7
    ethylbenzene 163.55
    MIBK 293.95
    2-propoxyethanol 687.06
    tert-butanol 675.74
    MTBE 504.51
    2-butoxyethanol 307.35
    propionic acid 368.6
    o-xylene 141.37
    formic acid 153.51
    diethyl ether 508.09
    m-xylene 160.27
    p-xylene 208.76
    chlorobenzene 348.86
    dimethyl carbonate 201.52
    n-octane 15.24
    formamide 263.03
    cyclopentanone 783.04
    2-pentanone 498.62
    anisole 401.17
    cyclopentyl methyl ether 506.07
    gamma-butyrolactone 724.79
    1-methoxy-2-propanol 692.98
    pyridine 670.52
    3-pentanone 348.74
    furfural 613.6
    n-dodecane 14.74
    diethylene glycol 399.57
    diisopropyl ether 142.66
    tert-amyl alcohol 588.77
    acetylacetone 471.03
    n-hexadecane 16.82
    acetophenone 296.2
    methyl propionate 395.66
    isopentyl acetate 376.78
    trichloroethylene 1191.61
    n-nonanol 180.7
    cyclohexanol 459.08
    benzyl alcohol 288.84
    2-ethylhexanol 253.93
    isooctanol 139.08
    dipropyl ether 225.6
    1,2-dichlorobenzene 300.81
    ethyl lactate 174.56
    propylene carbonate 491.62
    n-methylformamide 441.67
    2-pentanol 434.28
    n-pentane 63.07
    1-propoxy-2-propanol 471.07
    1-methoxy-2-propyl acetate 377.48
    2-(2-methoxypropoxy) propanol 366.6
    mesitylene 101.66
    ε-caprolactone 582.32
    p-cymene 82.08
    epichlorohydrin 950.28
    1,1,1-trichloroethane 505.9
    2-aminoethanol 284.7
    morpholine-4-carbaldehyde 793.31
    sulfolane 715.4
    2,2,4-trimethylpentane 34.03
    2-methyltetrahydrofuran 864.95
    n-hexyl acetate 349.39
    isooctane 25.84
    2-(2-butoxyethoxy)ethanol 520.29
    sec-butyl acetate 217.86
    tert-butyl acetate 349.8
    decalin 51.79
    glycerin 257.54
    diglyme 739.1
    acrylic acid 304.07
    isopropyl myristate 131.86
    n-butyric acid 551.09
    acetyl acetate 282.11
    di(2-ethylhexyl) phthalate 132.82
    ethyl propionate 274.52
    nitromethane 740.04
    1,2-diethoxyethane 375.03
    benzonitrile 328.66
    trioctyl phosphate 92.91
    1-bromopropane 414.07
    gamma-valerolactone 940.72
    n-decanol 133.17
    triethyl phosphate 131.5
    4-methyl-2-pentanol 238.33
    propionitrile 426.91
    vinylene carbonate 411.77
    1,1,2-trichlorotrifluoroethane 602.87
    DMS 276.92
    cumene 110.41
    2-octanol 130.27
    2-hexanone 368.88
    octyl acetate 175.87
    limonene 131.11
    1,2-dimethoxyethane 761.34
    ethyl orthosilicate 126.8
    tributyl phosphate 130.85
    diacetone alcohol 475.53
    N,N-dimethylaniline 250.01
    acrylonitrile 469.55
    aniline 336.77
    1,3-propanediol 438.63
    bromobenzene 335.63
    dibromomethane 606.88
    1,1,2,2-tetrachloroethane 1146.77
    2-methyl-cyclohexyl acetate 215.55
    tetrabutyl urea 159.06
    diisobutyl methanol 119.89
    2-phenylethanol 316.52
    styrene 207.3
    dioctyl adipate 190.65
    dimethyl sulfate 254.29
    ethyl butyrate 246.54
    methyl lactate 233.95
    butyl lactate 196.67
    diethyl carbonate 186.93
    propanediol butyl ether 339.47
    triethyl orthoformate 179.17
    p-tert-butyltoluene 83.93
    methyl 4-tert-butylbenzoate 237.35
    morpholine 1303.83
    tert-butylamine 413.04
    n-dodecanol 97.7
    dimethoxymethane 563.86
    ethylene carbonate 359.27
    cyrene 280.37
    2-ethoxyethyl acetate 270.92
    2-ethylhexyl acetate 283.76
    1,2,4-trichlorobenzene 353.78
    4-methylpyridine 678.71
    dibutyl ether 224.14
    2,6-dimethyl-4-heptanol 119.89
    DEF 543.07
    dimethyl isosorbide 482.11
    tetrachloroethylene 532.62
    eugenol 270.33
    triacetin 281.75
    span 80 314.15
    1,4-butanediol 151.19
    1,1-dichloroethane 635.01
    2-methyl-1-pentanol 382.82
    methyl formate 299.79
    2-methyl-1-butanol 511.76
    n-decane 24.05
    butyronitrile 477.92
    3,7-dimethyl-1-octanol 224.62
    1-chlorooctane 123.52
    1-chlorotetradecane 47.88
    n-nonane 24.06
    undecane 18.25
    tert-butylcyclohexane 50.21
    cyclooctane 28.05
    cyclopentanol 444.25
    tetrahydropyran 965.25
    tert-amyl methyl ether 372.77
    2,5,8-trioxanonane 518.72
    1-hexene 320.26
    2-isopropoxyethanol 308.3
    2,2,2-trifluoroethanol 148.11
    methyl butyrate 376.1

    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