Allyl crotonate

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  • Identifiers

    CAS number
    20474-93-5

    Molecular formula
    C7H10O2

    SMILES
    C/C=C/C(=O)OCC=C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 91.67%
    Pungent 58.2%
    Ethereal 50.48%
    Sharp 49.94%
    Green 47.17%
    Pineapple 45.73%
    Apple 45.26%
    Sweet 45.06%
    Rummy 43.66%
    Tropical 40.01%

     

    Flavor
    Pungent 28.03%
    Caramel 20.57%
    Fruity 20.06%
    Acetoin 18.95%
    Acidic 18.87%
    Formyl 18.81%
    Filbert 18.8%
    Roquefort cheese 18.6%
    Broccoli 18.28%
    Matches 18.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.06 (weak base)

    Molecular weight
    126.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    163°C

    Flash point

    • 38.83 ˚C est.

  • Synonyms

    • Allyl crotonate
    • 20474-93-5
    • Crotonic acid, allyl ester
    • 2-Butenoic acid, 2-propenyl ester
    • prop-2-enyl (E)-but-2-enoate
    • Allyl 2-butenoate
    • 2-Propenyl 2-butenoate
    • Allyl trans-2-butenoate
    • Allyl beta-methylacrylate
    • QK441L7HUM
    • EINECS 243-845-2
    • NSC-18598
    • Allyl (E)-but-2-enoate
    • 2-Butenoic acid, 2-propen-1-yl ester
    • AI3-24212
    • ALLYL CROTONATE [FHFI]
    • 5453-44-1
    • FEMA NO. 4072
    • NSC 18598
    • allyl but-2-enoate
    • UNII-QK441L7HUM
    • DTXSID80864945
    • Allyl 2butenoate
    • allylbut-2-enoate
    • 2Propenyl 2butenoate
    • Allyl betamethylacrylate
    • Allyl (2E)-2-butenoate
    • Allyl (2E)-2-butenoate #
    • SCHEMBL251146
    • SCHEMBL251147
    • 2Butenoic acid, 2propenyl ester
    • DTXCID10813406
    • CHEBI:195834
    • DTXSID401024603
    • NSC18598
    • AKOS006230360
    • Q10261806

  • Applications

    Allyl crotonate (CAS 20474-93-5) is primarily used as an organic synthesis intermediate and as a reactive monomer in polymer and resin chemistry. Its allyl functionality enables radical or cationic polymerization, making it suitable as a co-monomer in specialty polymers and as a crosslinkable component in UV-curable coatings, inks, and adhesives for industrial manufacturing. It can also serve as a precursor to crotonate-derived compounds used in resin formulation and materials development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 586.64
    methanol 716.92
    isopropanol 512.65
    water 1.42
    ethyl acetate 482.93
    n-propanol 504.27
    acetone 736.36
    n-butanol 504.49
    acetonitrile 572.5
    DMF 1130.28
    toluene 220.47
    isobutanol 397.3
    1,4-dioxane 687.59
    methyl acetate 545.5
    THF 931.72
    2-butanone 623.09
    n-pentanol 426.53
    sec-butanol 552.62
    n-hexane 154.26
    ethylene glycol 133.12
    NMP 1007.97
    cyclohexane 177.33
    DMSO 820.96
    n-butyl acetate 514.77
    n-octanol 309.57
    chloroform 1123.96
    n-propyl acetate 398.01
    acetic acid 836.29
    dichloromethane 1014.3
    cyclohexanone 825.8
    propylene glycol 187.09
    isopropyl acetate 276.55
    DMAc 886.29
    2-ethoxyethanol 425.19
    isopentanol 426.45
    n-heptane 80.3
    ethyl formate 356.67
    1,2-dichloroethane 655.58
    n-hexanol 482.51
    2-methoxyethanol 609.91
    isobutyl acetate 231.34
    tetrachloromethane 154.08
    n-pentyl acetate 289.58
    transcutol 1150.51
    n-heptanol 205.17
    ethylbenzene 203.88
    MIBK 281.79
    2-propoxyethanol 533.11
    tert-butanol 641.64
    MTBE 477.26
    2-butoxyethanol 285.49
    propionic acid 562.92
    o-xylene 195.35
    formic acid 192.17
    diethyl ether 482.81
    m-xylene 181.8
    p-xylene 279.8
    chlorobenzene 413.32
    dimethyl carbonate 185.61
    n-octane 42.64
    formamide 236.99
    cyclopentanone 869.69
    2-pentanone 474.02
    anisole 371.84
    cyclopentyl methyl ether 465.37
    gamma-butyrolactone 958.01
    1-methoxy-2-propanol 482.31
    pyridine 711.8
    3-pentanone 379.42
    furfural 770.35
    n-dodecane 41.09
    diethylene glycol 360.11
    diisopropyl ether 152.9
    tert-amyl alcohol 626.53
    acetylacetone 425.24
    n-hexadecane 45.67
    acetophenone 375.28
    methyl propionate 404.01
    isopentyl acetate 399.75
    trichloroethylene 1253.89
    n-nonanol 253.79
    cyclohexanol 497.12
    benzyl alcohol 297.84
    2-ethylhexanol 297.4
    isooctanol 173.93
    dipropyl ether 282.87
    1,2-dichlorobenzene 374.9
    ethyl lactate 204.08
    propylene carbonate 551.95
    n-methylformamide 478.11
    2-pentanol 405.75
    n-pentane 114.27
    1-propoxy-2-propanol 408.63
    1-methoxy-2-propyl acetate 330.86
    2-(2-methoxypropoxy) propanol 363.84
    mesitylene 135.99
    ε-caprolactone 673.1
    p-cymene 138.3
    epichlorohydrin 840.21
    1,1,1-trichloroethane 619.13
    2-aminoethanol 247.68
    morpholine-4-carbaldehyde 719.88
    sulfolane 1075.46
    2,2,4-trimethylpentane 68.94
    2-methyltetrahydrofuran 786.84
    n-hexyl acetate 525.92
    isooctane 53.01
    2-(2-butoxyethoxy)ethanol 450.98
    sec-butyl acetate 246.09
    tert-butyl acetate 312.27
    decalin 98.07
    glycerin 242.76
    diglyme 727.08
    acrylic acid 513.34
    isopropyl myristate 187.35
    n-butyric acid 645.68
    acetyl acetate 307.24
    di(2-ethylhexyl) phthalate 174.84
    ethyl propionate 350.65
    nitromethane 1023.1
    1,2-diethoxyethane 418.53
    benzonitrile 450.44
    trioctyl phosphate 136.05
    1-bromopropane 489.19
    gamma-valerolactone 861.19
    n-decanol 188.57
    triethyl phosphate 173.57
    4-methyl-2-pentanol 216.66
    propionitrile 479.56
    vinylene carbonate 520.24
    1,1,2-trichlorotrifluoroethane 609.18
    DMS 314.97
    cumene 151.67
    2-octanol 184.8
    2-hexanone 455.14
    octyl acetate 248.08
    limonene 213.82
    1,2-dimethoxyethane 740.95
    ethyl orthosilicate 165.84
    tributyl phosphate 176.91
    diacetone alcohol 360.94
    N,N-dimethylaniline 288.53
    acrylonitrile 585.91
    aniline 296.79
    1,3-propanediol 351.47
    bromobenzene 430.27
    dibromomethane 763.11
    1,1,2,2-tetrachloroethane 1017.85
    2-methyl-cyclohexyl acetate 275.28
    tetrabutyl urea 236.31
    diisobutyl methanol 167.21
    2-phenylethanol 304.0
    styrene 271.07
    dioctyl adipate 265.87
    dimethyl sulfate 302.47
    ethyl butyrate 344.63
    methyl lactate 220.4
    butyl lactate 238.24
    diethyl carbonate 260.12
    propanediol butyl ether 336.86
    triethyl orthoformate 227.06
    p-tert-butyltoluene 131.63
    methyl 4-tert-butylbenzoate 305.66
    morpholine 799.07
    tert-butylamine 439.25
    n-dodecanol 146.29
    dimethoxymethane 452.99
    ethylene carbonate 403.32
    cyrene 298.68
    2-ethoxyethyl acetate 305.59
    2-ethylhexyl acetate 313.53
    1,2,4-trichlorobenzene 435.09
    4-methylpyridine 695.98
    dibutyl ether 342.09
    2,6-dimethyl-4-heptanol 167.21
    DEF 639.21
    dimethyl isosorbide 481.09
    tetrachloroethylene 592.46
    eugenol 314.07
    triacetin 366.7
    span 80 330.23
    1,4-butanediol 192.79
    1,1-dichloroethane 723.19
    2-methyl-1-pentanol 422.15
    methyl formate 384.51
    2-methyl-1-butanol 434.61
    n-decane 64.51
    butyronitrile 556.79
    3,7-dimethyl-1-octanol 268.19
    1-chlorooctane 212.18
    1-chlorotetradecane 92.69
    n-nonane 66.63
    undecane 50.1
    tert-butylcyclohexane 96.06
    cyclooctane 56.83
    cyclopentanol 527.03
    tetrahydropyran 811.32
    tert-amyl methyl ether 399.92
    2,5,8-trioxanonane 529.78
    1-hexene 404.71
    2-isopropoxyethanol 318.09
    2,2,2-trifluoroethanol 209.76
    methyl butyrate 494.91

    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