Methyl Crotonate

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  • Identifiers

    CAS number
    623-43-8

    Molecular formula
    C5H8O2

    SMILES
    C/C=C/C(=O)OC

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • 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.
    128°C

    Flash point

    • 13.33 ˚C est.

  • Synonyms

    • Methyl crotonate
    • 623-43-8
    • trans-Methyl crotonate
    • (E)-Methyl but-2-enoate
    • methyl (E)-but-2-enoate
    • Methyl E-crotonate
    • Methyl 2-butenoate
    • (E)-Crotonic acid methyl ester
    • Methyl trans-crotonate
    • Methyl trans-2-butenoate
    • Methyl (E)-2-butenoate
    • trans-2-Butenoic acid methyl ester
    • 2-Butenoic acid, methyl ester, (2E)-
    • Crotonic acid, methyl ester
    • 2-Butenoic acid, methyl ester, (E)-
    • Methyl E-Propene-1-carboxylate
    • 18707-60-3
    • (E)-2-Butenoic acid methyl ester
    • 2-Butenoic acid, methyl ester
    • CROTONIC ACID, METHYL ESTER, (E)-
    • 1-(Methoxycarbonyl)propene
    • Crotonic Acid Methyl Ester
    • EINECS 210-793-7
    • methyl (2E)-but-2-enoate
    • BRN 1720292
    • 3T02JIH93S
    • EINECS 242-517-6
    • MFCD00009287
    • NSC 18745
    • AI3-06008
    • DTXSID10878813
    • NSC-18745
    • CROTONIC ACID METHYL ESTER [MI]
    • (2E)-2-BUTENOIC ACID METHYL ESTER
    • METHYL-2-CROTONATE
    • DTXSID30862315
    • UNII-3T02JIH93S
    • Methyl crotonate, 98%
    • Methyl crotonate, (E)-
    • Methyl 2-butenoate, (E)-
    • SCHEMBL37099
    • 2-butenoic acid methyl ester
    • Methyl (2E)-2-butenoate #
    • CHEMBL3273387
    • SCHEMBL15460624
    • (E)-CH3CH=CHC(O)OCH3
    • DTXCID50909135
    • DTXCID70811100
    • Methyl .alpha.-crotonate, trans-
    • (E)-2-Butenoic acid-methyl ester
    • (E)-but-2-enoic acid methyl ester
    • Crotonic acid, methyl ester (8CI)
    • Methyl crotonate, analytical standard
    • Methyl crotonate, 96%, trans-isomer
    • AKOS000121298
    • CS-W020591
    • FM12165
    • PD168600
    • DB-030461
    • EN300-15459
    • A833724
    • Q1141622
    • F0001-1670
    • 210-793-7
    • 242-517-6

  • Applications

    Methyl crotonate is primarily used as an odorant and chemical intermediate in fragrance chemistry. In perfumery and cosmetics, it contributes distinctive fruity/green notes and is employed as a fragrance ingredient in formulations. In the flavor sector it can function as a precursor or aroma component. Additionally, as a crotonate ester, it serves as a building block for organic synthesis, enabling the preparation of more complex esters and derivatives used in coatings, inks, and polymer-related chemistries. Its industrial applications are thus centered on fragrance, flavor, and materials synthesis, with use governed by 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
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
Methyl crotonate should not be used as a fragrance ingredient.