3-Butenoic acid, 3-methyl-, ethyl ester

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  • Identifiers

    CAS number
    1617-19-2

    Molecular formula
    C7H12O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 89.43%
    Green 70.27%
    Apple 59.58%
    Sweet 54.54%
    Pineapple 48.0%
    Ethereal 45.63%
    Winey 40.48%
    Tropical 39.06%
    Rummy 38.47%
    Caramellic 36.43%

     

    Flavor
    Fruity 84.02%
    Sweet 38.94%
    Green 36.74%
    Pineapple 36.13%
    Tropical 35.06%
    Berry 32.52%
    Apple 32.22%
    Fresh 28.13%
    Fatty 26.58%
    Fruit 26.1%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.92 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    146°C

    Flash point

    • 37.86 ˚C est.

  • Synonyms

    • 3-Butenoic acid, 3-methyl-, ethyl ester
    • 1617-19-2
    • Ethyl 3-methyl-3-butenoate
    • DTXSID40167222
    • RefChem:277902
    • DTXCID6089713
    • ethyl 3-methylbut-3-enoate
    • 3-methyl-but-3-enoic acid ethyl ester
    • 3-methylbut-3-enoic acid ethyl ester
    • ethyl-3-methyl-3-butenoate
    • SCHEMBL1549377
    • SCHEMBL8998068
    • 1617-19-2

  • Applications

    3-Butenoic acid, 3-methyl-, ethyl ester (CAS 1617-19-2) is primarily used as a reactive monomer and synthesis intermediate for polymer and resin systems, notably in acrylic coatings and unsaturated polyesters; it also serves as a precursor for specialty chemical syntheses and can function as a fragrance-related intermediate in perfumery; in formulations it can act as a reactive diluent or plasticizer for coatings and inks and may be used as an adhesion/resin modifier in adhesive formulations; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 412.01
    methanol 638.62
    isopropanol 362.88
    water 8.59
    ethyl acetate 160.21
    n-propanol 317.66
    acetone 319.51
    n-butanol 295.01
    acetonitrile 264.45
    DMF 489.2
    toluene 81.53
    isobutanol 246.75
    1,4-dioxane 389.66
    methyl acetate 179.72
    THF 557.74
    2-butanone 193.47
    n-pentanol 207.44
    sec-butanol 290.35
    n-hexane 71.26
    ethylene glycol 147.08
    NMP 495.47
    cyclohexane 100.87
    DMSO 336.58
    n-butyl acetate 142.11
    n-octanol 211.34
    chloroform 531.44
    n-propyl acetate 113.86
    acetic acid 580.72
    dichloromethane 373.01
    cyclohexanone 351.47
    propylene glycol 235.8
    isopropyl acetate 99.78
    DMAc 381.78
    2-ethoxyethanol 198.4
    isopentanol 211.88
    n-heptane 52.58
    ethyl formate 155.63
    1,2-dichloroethane 175.63
    n-hexanol 297.21
    2-methoxyethanol 411.16
    isobutyl acetate 80.36
    tetrachloromethane 69.0
    n-pentyl acetate 108.23
    transcutol 585.07
    n-heptanol 124.14
    ethylbenzene 76.48
    MIBK 109.4
    2-propoxyethanol 335.35
    tert-butanol 431.66
    MTBE 176.99
    2-butoxyethanol 150.24
    propionic acid 286.99
    o-xylene 82.24
    formic acid 160.16
    diethyl ether 152.98
    m-xylene 77.21
    p-xylene 101.92
    chlorobenzene 139.93
    dimethyl carbonate 85.64
    n-octane 22.59
    formamide 128.58
    cyclopentanone 360.28
    2-pentanone 161.23
    anisole 146.38
    cyclopentyl methyl ether 218.31
    gamma-butyrolactone 404.26
    1-methoxy-2-propanol 318.98
    pyridine 233.51
    3-pentanone 122.24
    furfural 360.0
    n-dodecane 27.32
    diethylene glycol 268.11
    diisopropyl ether 57.88
    tert-amyl alcohol 319.86
    acetylacetone 194.22
    n-hexadecane 29.07
    acetophenone 146.31
    methyl propionate 148.99
    isopentyl acetate 133.67
    trichloroethylene 368.65
    n-nonanol 176.21
    cyclohexanol 301.02
    benzyl alcohol 146.99
    2-ethylhexanol 158.94
    isooctanol 98.5
    dipropyl ether 118.59
    1,2-dichlorobenzene 147.14
    ethyl lactate 113.69
    propylene carbonate 254.94
    n-methylformamide 219.19
    2-pentanol 192.29
    n-pentane 61.67
    1-propoxy-2-propanol 254.15
    1-methoxy-2-propyl acetate 156.32
    2-(2-methoxypropoxy) propanol 249.7
    mesitylene 59.03
    ε-caprolactone 271.97
    p-cymene 70.47
    epichlorohydrin 311.0
    1,1,1-trichloroethane 212.38
    2-aminoethanol 235.15
    morpholine-4-carbaldehyde 412.3
    sulfolane 456.22
    2,2,4-trimethylpentane 33.45
    2-methyltetrahydrofuran 332.08
    n-hexyl acetate 244.45
    isooctane 23.16
    2-(2-butoxyethoxy)ethanol 303.75
    sec-butyl acetate 76.8
    tert-butyl acetate 125.35
    decalin 45.94
    glycerin 265.7
    diglyme 350.52
    acrylic acid 257.93
    isopropyl myristate 106.86
    n-butyric acid 327.06
    acetyl acetate 134.8
    di(2-ethylhexyl) phthalate 120.87
    ethyl propionate 109.9
    nitromethane 468.06
    1,2-diethoxyethane 143.81
    benzonitrile 181.1
    trioctyl phosphate 90.42
    1-bromopropane 139.25
    gamma-valerolactone 438.08
    n-decanol 137.59
    triethyl phosphate 85.11
    4-methyl-2-pentanol 105.76
    propionitrile 193.12
    vinylene carbonate 253.26
    1,1,2-trichlorotrifluoroethane 314.25
    DMS 155.41
    cumene 67.11
    2-octanol 113.27
    2-hexanone 137.2
    octyl acetate 145.77
    limonene 107.29
    1,2-dimethoxyethane 328.67
    ethyl orthosilicate 81.47
    tributyl phosphate 105.73
    diacetone alcohol 199.82
    N,N-dimethylaniline 130.88
    acrylonitrile 223.97
    aniline 133.9
    1,3-propanediol 275.71
    bromobenzene 126.17
    dibromomethane 274.15
    1,1,2,2-tetrachloroethane 325.28
    2-methyl-cyclohexyl acetate 139.26
    tetrabutyl urea 147.5
    diisobutyl methanol 89.59
    2-phenylethanol 163.26
    styrene 87.5
    dioctyl adipate 158.79
    dimethyl sulfate 138.77
    ethyl butyrate 121.31
    methyl lactate 150.5
    butyl lactate 136.24
    diethyl carbonate 104.38
    propanediol butyl ether 263.58
    triethyl orthoformate 103.61
    p-tert-butyltoluene 72.63
    methyl 4-tert-butylbenzoate 184.54
    morpholine 416.21
    tert-butylamine 256.52
    n-dodecanol 111.27
    dimethoxymethane 227.43
    ethylene carbonate 191.59
    cyrene 207.13
    2-ethoxyethyl acetate 123.76
    2-ethylhexyl acetate 106.81
    1,2,4-trichlorobenzene 175.13
    4-methylpyridine 227.01
    dibutyl ether 146.04
    2,6-dimethyl-4-heptanol 89.59
    DEF 197.15
    dimethyl isosorbide 342.77
    tetrachloroethylene 187.67
    eugenol 190.13
    triacetin 226.36
    span 80 276.53
    1,4-butanediol 135.28
    1,1-dichloroethane 216.64
    2-methyl-1-pentanol 185.43
    methyl formate 190.9
    2-methyl-1-butanol 208.16
    n-decane 40.47
    butyronitrile 212.46
    3,7-dimethyl-1-octanol 167.14
    1-chlorooctane 102.14
    1-chlorotetradecane 54.78
    n-nonane 39.77
    undecane 32.48
    tert-butylcyclohexane 45.2
    cyclooctane 31.18
    cyclopentanol 331.56
    tetrahydropyran 361.22
    tert-amyl methyl ether 140.66
    2,5,8-trioxanonane 344.24
    1-hexene 136.04
    2-isopropoxyethanol 143.19
    2,2,2-trifluoroethanol 145.53
    methyl butyrate 153.61

    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