2-Butenoic acid, 3-methyl-, 3-methylbutyl ester

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  • Identifiers

    CAS number
    56922-73-7

    Molecular formula
    C10H18O2

    SMILES
    CC(C)CCOC(=O)C=C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 76.25%
    Herbal 71.93%
    Green 60.66%
    Apple 57.39%
    Chamomile 52.32%
    Floral 47.86%
    Sweet 46.33%
    Mint 40.86%
    Rose 37.54%
    Spicy 36.85%

     

    Flavor
    Fruity 64.46%
    Green 56.19%
    Sweet 51.12%
    Tropical 39.9%
    Herbal 36.27%
    Berry 33.96%
    Apple 32.2%
    Fruit 30.61%
    Banana 27.42%
    Woody 27.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.43 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 197.00 to 199.00 °C. @ 760.00 mm Hg

    Flash point

    • 68.81 ˚C est.

  • Synonyms

    • Isoamyl senecioate
    • 3-methylbutyl 3-methylbut-2-enoate
    • Isopentyl 3-methyl-2-butenoate
    • 56922-73-7
    • 2-Butenoic acid, 3-methyl-, 3-methylbutyl ester
    • EINECS 260-438-5
    • AI3-33688
    • DTXSID3069142
    • RefChem:468034
    • DTXCID7042140
    • 260-438-5
    • ISO-AMYL-SENECIOATE
    • 3-Methyl-2-butenoic acid, 3-methylbutyl ester
    • Iso-amyl senecioate
    • SCHEMBL15482767
    • CHEBI:180210
    • Isopentyl 3-methyl-2-butenoate #
    • GCA92273
    • LMFA07010918
    • AKOS006241630
    • DB-254949
    • NS00033604
    • EN300-23315254
    • Z212578276
    • 56922-73-7

  • Applications

    Isoamyl acrylate (2-Butenoic acid, 3-methyl-, 3-methylbutyl ester; CAS 56922-73-7) is primarily used as a reactive monomer for acrylic polymers and copolymers, enabling the production of coatings, adhesives, sealants and plastics with tailored properties. In industrial manufacturing, it functions as a key component in acrylic resin formulations and as a reactive diluent in UV-curable coating systems, improving flow, cure speed and adhesion. It is also employed as an intermediate in the synthesis of specialty polymers for electronics encapsulation and flexible resins. Depending on formulation, it may be used in inks and coatings as a reactive monomer that imparts specific performance characteristics. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 969.45
    methanol 795.24
    isopropanol 1024.63
    water 1.31
    ethyl acetate 675.31
    n-propanol 832.28
    acetone 1123.28
    n-butanol 792.23
    acetonitrile 646.31
    DMF 1007.08
    toluene 227.01
    isobutanol 711.07
    1,4-dioxane 1173.59
    methyl acetate 623.62
    THF 2063.54
    2-butanone 826.54
    n-pentanol 509.25
    sec-butanol 924.02
    n-hexane 212.7
    ethylene glycol 175.6
    NMP 1243.66
    cyclohexane 274.98
    DMSO 875.24
    n-butyl acetate 746.75
    n-octanol 460.44
    chloroform 2409.95
    n-propyl acetate 420.31
    acetic acid 1467.83
    dichloromethane 1553.85
    cyclohexanone 1406.86
    propylene glycol 510.2
    isopropyl acetate 439.88
    DMAc 771.81
    2-ethoxyethanol 419.56
    isopentanol 709.6
    n-heptane 124.95
    ethyl formate 428.82
    1,2-dichloroethane 916.34
    n-hexanol 925.12
    2-methoxyethanol 888.74
    isobutyl acetate 329.5
    tetrachloromethane 281.85
    n-pentyl acetate 402.17
    transcutol 1708.45
    n-heptanol 370.97
    ethylbenzene 208.59
    MIBK 412.28
    2-propoxyethanol 895.77
    tert-butanol 1356.93
    MTBE 772.98
    2-butoxyethanol 467.44
    propionic acid 816.5
    o-xylene 210.14
    formic acid 271.43
    diethyl ether 502.87
    m-xylene 221.29
    p-xylene 303.78
    chlorobenzene 550.09
    dimethyl carbonate 197.02
    n-octane 56.82
    formamide 276.81
    cyclopentanone 1447.41
    2-pentanone 652.64
    anisole 401.55
    cyclopentyl methyl ether 804.23
    gamma-butyrolactone 1471.74
    1-methoxy-2-propanol 844.75
    pyridine 802.3
    3-pentanone 451.78
    furfural 1059.38
    n-dodecane 51.26
    diethylene glycol 552.39
    diisopropyl ether 213.55
    tert-amyl alcohol 1075.5
    acetylacetone 704.23
    n-hexadecane 57.86
    acetophenone 407.56
    methyl propionate 499.44
    isopentyl acetate 701.13
    trichloroethylene 1988.52
    n-nonanol 397.58
    cyclohexanol 944.09
    benzyl alcohol 368.34
    2-ethylhexanol 520.03
    isooctanol 307.26
    dipropyl ether 401.17
    1,2-dichlorobenzene 521.06
    ethyl lactate 275.38
    propylene carbonate 988.67
    n-methylformamide 457.13
    2-pentanol 673.82
    n-pentane 145.94
    1-propoxy-2-propanol 808.9
    1-methoxy-2-propyl acetate 636.39
    2-(2-methoxypropoxy) propanol 591.82
    mesitylene 171.94
    ε-caprolactone 1117.36
    p-cymene 203.07
    epichlorohydrin 1335.24
    1,1,1-trichloroethane 1224.37
    2-aminoethanol 428.85
    morpholine-4-carbaldehyde 1001.31
    sulfolane 1564.12
    2,2,4-trimethylpentane 93.58
    2-methyltetrahydrofuran 1385.71
    n-hexyl acetate 744.26
    isooctane 79.18
    2-(2-butoxyethoxy)ethanol 768.56
    sec-butyl acetate 313.53
    tert-butyl acetate 570.02
    decalin 131.9
    glycerin 475.49
    diglyme 966.56
    acrylic acid 616.55
    isopropyl myristate 313.06
    n-butyric acid 1217.66
    acetyl acetate 483.45
    di(2-ethylhexyl) phthalate 285.33
    ethyl propionate 373.03
    nitromethane 1207.2
    1,2-diethoxyethane 511.24
    benzonitrile 523.94
    trioctyl phosphate 227.29
    1-bromopropane 626.17
    gamma-valerolactone 1549.94
    n-decanol 299.74
    triethyl phosphate 229.16
    4-methyl-2-pentanol 378.04
    propionitrile 555.87
    vinylene carbonate 773.77
    1,1,2-trichlorotrifluoroethane 1107.01
    DMS 402.91
    cumene 180.98
    2-octanol 314.72
    2-hexanone 518.01
    octyl acetate 407.14
    limonene 338.24
    1,2-dimethoxyethane 765.59
    ethyl orthosilicate 223.8
    tributyl phosphate 282.41
    diacetone alcohol 744.03
    N,N-dimethylaniline 298.01
    acrylonitrile 537.38
    aniline 433.05
    1,3-propanediol 666.44
    bromobenzene 554.06
    dibromomethane 1176.38
    1,1,2,2-tetrachloroethane 1883.73
    2-methyl-cyclohexyl acetate 467.45
    tetrabutyl urea 346.84
    diisobutyl methanol 330.74
    2-phenylethanol 485.05
    styrene 246.89
    dioctyl adipate 428.67
    dimethyl sulfate 309.26
    ethyl butyrate 443.83
    methyl lactate 359.73
    butyl lactate 403.2
    diethyl carbonate 322.23
    propanediol butyl ether 657.93
    triethyl orthoformate 327.95
    p-tert-butyltoluene 210.75
    methyl 4-tert-butylbenzoate 489.34
    morpholine 1458.5
    tert-butylamine 821.68
    n-dodecanol 237.42
    dimethoxymethane 509.02
    ethylene carbonate 670.72
    cyrene 466.19
    2-ethoxyethyl acetate 433.03
    2-ethylhexyl acetate 513.48
    1,2,4-trichlorobenzene 653.82
    4-methylpyridine 799.27
    dibutyl ether 443.24
    2,6-dimethyl-4-heptanol 330.74
    DEF 594.14
    dimethyl isosorbide 906.61
    tetrachloroethylene 989.29
    eugenol 461.03
    triacetin 529.07
    span 80 688.53
    1,4-butanediol 240.36
    1,1-dichloroethane 1196.34
    2-methyl-1-pentanol 493.45
    methyl formate 371.54
    2-methyl-1-butanol 653.19
    n-decane 82.08
    butyronitrile 690.09
    3,7-dimethyl-1-octanol 466.06
    1-chlorooctane 300.3
    1-chlorotetradecane 134.05
    n-nonane 83.81
    undecane 62.96
    tert-butylcyclohexane 135.65
    cyclooctane 81.61
    cyclopentanol 1057.47
    tetrahydropyran 1324.3
    tert-amyl methyl ether 522.01
    2,5,8-trioxanonane 760.18
    1-hexene 454.49
    2-isopropoxyethanol 362.67
    2,2,2-trifluoroethanol 357.7
    methyl butyrate 541.82

    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