Methyl but-2-enoate

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  • Identifiers

    CAS number
    18707-60-3

    Molecular formula
    C5H8O2

    SMILES
    CC=CC(=O)OC

  • Odor profile

    Fragrance
    Fruity 90.76%
    Ethereal 63.39%
    Pungent 62.16%
    Sharp 56.36%
    Green 54.24%
    Rummy 53.84%
    Apple 49.49%
    Sweet 48.33%
    Winey 39.03%
    Chamomile 36.48%

     

    Flavor
    Fruity 51.69%
    Pungent 45.01%
    Ethereal 27.37%
    Sweet 26.43%
    Spicy 24.74%
    Caramel 23.7%
    Sharp 22.97%
    Green 22.94%
    Tropical 22.22%
    Butter 21.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.16 (neutral)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    117°C

    Flash point

    • 13.33 ˚C est.

  • Synonyms

    • methyl but-2-enoate
    • 18707-60-3
    • DTXSID30862315
    • methyl butenoate
    • methyl 3-methylacrylate
    • methyl-3-methylacrylate
    • AKOS025243552

  • Applications

    Methyl but-2-enoate (CAS 18707-60-3), also known as methyl crotonate, is an unsaturated ester used primarily as an aroma and flavor ingredient in fragrances, cosmetics, and cleaning products; it is also employed as an intermediate in organic synthesis to access aroma-related compounds and specialty esters. In the polymer and coatings sector, it can serve as a reactive monomer or precursor for specialty polymers and coating formulations that incorporate unsaturation for further modification. It may be evaluated for other industrial applications as a chemical intermediate and for incorporation into fragrance- or flavor-containing formulations, always subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 978.71
    methanol 1188.46
    isopropanol 927.83
    water 13.73
    ethyl acetate 815.49
    n-propanol 868.27
    acetone 1426.67
    n-butanol 676.47
    acetonitrile 1691.12
    DMF 1724.08
    toluene 275.01
    isobutanol 659.67
    1,4-dioxane 1354.72
    methyl acetate 1020.45
    THF 1390.59
    2-butanone 1024.39
    n-pentanol 540.26
    sec-butanol 865.41
    n-hexane 155.14
    ethylene glycol 325.38
    NMP 1559.46
    cyclohexane 150.36
    DMSO 1521.5
    n-butyl acetate 426.27
    n-octanol 327.39
    chloroform 1947.9
    n-propyl acetate 551.52
    acetic acid 1617.41
    dichloromethane 1902.58
    cyclohexanone 1062.76
    propylene glycol 407.99
    isopropyl acetate 451.57
    DMAc 1081.04
    2-ethoxyethanol 716.21
    isopentanol 515.62
    n-heptane 62.96
    ethyl formate 581.12
    1,2-dichloroethane 1118.88
    n-hexanol 403.42
    2-methoxyethanol 1086.74
    isobutyl acetate 305.07
    tetrachloromethane 335.83
    n-pentyl acetate 335.45
    transcutol 1143.55
    n-heptanol 237.66
    ethylbenzene 219.51
    MIBK 397.22
    2-propoxyethanol 596.9
    tert-butanol 1059.19
    MTBE 702.17
    2-butoxyethanol 343.85
    propionic acid 1061.84
    o-xylene 235.18
    formic acid 526.93
    diethyl ether 718.03
    m-xylene 227.75
    p-xylene 319.74
    chlorobenzene 561.79
    dimethyl carbonate 299.35
    n-octane 42.21
    formamide 634.49
    cyclopentanone 1354.67
    2-pentanone 729.82
    anisole 452.73
    cyclopentyl methyl ether 652.95
    gamma-butyrolactone 1615.59
    1-methoxy-2-propanol 841.25
    pyridine 921.49
    3-pentanone 555.1
    furfural 1205.12
    n-dodecane 39.38
    diethylene glycol 505.81
    diisopropyl ether 229.17
    tert-amyl alcohol 886.27
    acetylacetone 768.04
    n-hexadecane 44.02
    acetophenone 434.34
    methyl propionate 683.39
    isopentyl acetate 340.66
    trichloroethylene 2150.95
    n-nonanol 260.95
    cyclohexanol 630.94
    benzyl alcohol 370.46
    2-ethylhexanol 248.11
    isooctanol 202.59
    dipropyl ether 251.34
    1,2-dichlorobenzene 510.57
    ethyl lactate 300.72
    propylene carbonate 802.12
    n-methylformamide 1007.59
    2-pentanol 564.68
    n-pentane 127.15
    1-propoxy-2-propanol 412.17
    1-methoxy-2-propyl acetate 351.75
    2-(2-methoxypropoxy) propanol 352.64
    mesitylene 169.96
    ε-caprolactone 892.25
    p-cymene 133.19
    epichlorohydrin 1425.69
    1,1,1-trichloroethane 1147.6
    2-aminoethanol 535.43
    morpholine-4-carbaldehyde 1135.32
    sulfolane 1963.3
    2,2,4-trimethylpentane 81.39
    2-methyltetrahydrofuran 1177.59
    n-hexyl acetate 555.91
    isooctane 56.62
    2-(2-butoxyethoxy)ethanol 482.45
    sec-butyl acetate 341.81
    tert-butyl acetate 501.25
    decalin 94.29
    glycerin 498.75
    diglyme 794.5
    acrylic acid 1018.64
    isopropyl myristate 184.35
    n-butyric acid 955.77
    acetyl acetate 467.43
    di(2-ethylhexyl) phthalate 169.54
    ethyl propionate 491.75
    nitromethane 2250.29
    1,2-diethoxyethane 435.15
    benzonitrile 599.88
    trioctyl phosphate 140.0
    1-bromopropane 705.74
    gamma-valerolactone 1321.36
    n-decanol 192.17
    triethyl phosphate 175.7
    4-methyl-2-pentanol 263.42
    propionitrile 927.61
    vinylene carbonate 781.69
    1,1,2-trichlorotrifluoroethane 1015.23
    DMS 400.48
    cumene 172.52
    2-octanol 228.46
    2-hexanone 551.6
    octyl acetate 259.16
    limonene 187.19
    1,2-dimethoxyethane 986.05
    ethyl orthosilicate 162.59
    tributyl phosphate 179.51
    diacetone alcohol 562.63
    N,N-dimethylaniline 333.88
    acrylonitrile 1194.01
    aniline 437.78
    1,3-propanediol 674.34
    bromobenzene 549.18
    dibromomethane 1244.69
    1,1,2,2-tetrachloroethane 1586.3
    2-methyl-cyclohexyl acetate 260.46
    tetrabutyl urea 221.54
    diisobutyl methanol 149.68
    2-phenylethanol 297.94
    styrene 279.8
    dioctyl adipate 255.35
    dimethyl sulfate 537.24
    ethyl butyrate 325.34
    methyl lactate 390.54
    butyl lactate 267.42
    diethyl carbonate 238.96
    propanediol butyl ether 425.48
    triethyl orthoformate 213.88
    p-tert-butyltoluene 133.68
    methyl 4-tert-butylbenzoate 336.78
    morpholine 1410.76
    tert-butylamine 623.4
    n-dodecanol 144.95
    dimethoxymethane 691.84
    ethylene carbonate 624.15
    cyrene 376.52
    2-ethoxyethyl acetate 369.91
    2-ethylhexyl acetate 269.35
    1,2,4-trichlorobenzene 598.18
    4-methylpyridine 918.67
    dibutyl ether 302.52
    2,6-dimethyl-4-heptanol 149.68
    DEF 863.33
    dimethyl isosorbide 505.26
    tetrachloroethylene 972.41
    eugenol 357.88
    triacetin 433.66
    span 80 330.85
    1,4-butanediol 353.6
    1,1-dichloroethane 1331.59
    2-methyl-1-pentanol 447.64
    methyl formate 774.02
    2-methyl-1-butanol 580.98
    n-decane 61.54
    butyronitrile 813.07
    3,7-dimethyl-1-octanol 259.58
    1-chlorooctane 217.0
    1-chlorotetradecane 88.83
    n-nonane 65.05
    undecane 47.68
    tert-butylcyclohexane 100.92
    cyclooctane 54.1
    cyclopentanol 846.54
    tetrahydropyran 1094.95
    tert-amyl methyl ether 525.2
    2,5,8-trioxanonane 538.41
    1-hexene 394.03
    2-isopropoxyethanol 473.17
    2,2,2-trifluoroethanol 513.26
    methyl butyrate 669.45

    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