3-Pentenoic acid, 2-methyl-, methyl ester, (E)-

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  • Identifiers

    CAS number
    33603-30-4

    Molecular formula
    C7H12O2

    SMILES
    CC=CC(C)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 96.88%
    Green 85.16%
    Sweet 73.69%
    Tropical 68.8%
    Apple 62.42%
    Pineapple 60.68%
    Fresh 50.05%
    Banana 46.57%
    Berry 45.28%
    Melon 44.68%

     

    Flavor
    Fruity 67.69%
    Floral 38.43%
    Tropical 38.02%
    Berry 31.94%
    Green 30.82%
    Sweet 29.85%
    Apple 26.06%
    Spicy 22.03%
    Pungent 21.59%
    Pineapple 20.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.44 (neutral)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    141°C

    Flash point

    • 40.29 ˚C est.

  • Synonyms

    • RefChem:504746
    • 3-Pentenoic acid, 2-methyl-, methyl ester, (E)-
    • 3-Pentenoic acid, 2-methyl-, methyl ester
    • METHYL 2-METHYLPENT-3-ENOATE
    • 33603-30-4
    • methyl 2-methyl-3-pentenoate
    • SCHEMBL10709374
    • DTXSID10955234
    • GOQVKGQOIKOQHV-UHFFFAOYSA-N
    • NS00121678
    • 33603-30-4

  • Applications

    3-Pentenoic acid, 2-methyl-, methyl ester, (E)- (CAS 33603-30-4) is primarily used as a synthetic intermediate and building block in organic chemistry. Its α,β-unsaturated ester functionality makes it a versatile Michael acceptor for conjugate additions in the preparation of fine chemicals and specialty monomers. In fragrance and flavor chemistry, it can serve as a precursor to aroma compounds or be evaluated as an ingredient under appropriate regulatory controls. In polymers and coatings, it is used as a reactive monomer or crosslinkable component for specialty polymers, coatings, and adhesives. In pharmaceutical and agrochemical synthesis, it acts as an intermediate for multi-step routes to active ingredients. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1192.94
    methanol 1558.15
    isopropanol 902.63
    water 5.77
    ethyl acetate 430.72
    n-propanol 861.71
    acetone 499.66
    n-butanol 893.1
    acetonitrile 882.23
    DMF 612.47
    toluene 373.15
    isobutanol 671.8
    1,4-dioxane 1216.86
    methyl acetate 501.16
    THF 896.12
    2-butanone 554.59
    n-pentanol 743.23
    sec-butanol 872.65
    n-hexane 170.15
    ethylene glycol 227.04
    NMP 544.96
    cyclohexane 257.47
    DMSO 539.52
    n-butyl acetate 475.96
    n-octanol 388.51
    chloroform 2037.14
    n-propyl acetate 374.95
    acetic acid 786.18
    dichloromethane 1976.14
    cyclohexanone 653.1
    propylene glycol 238.94
    isopropyl acetate 238.37
    DMAc 536.7
    2-ethoxyethanol 750.54
    isopentanol 736.75
    n-heptane 130.24
    ethyl formate 478.43
    1,2-dichloroethane 829.88
    n-hexanol 649.22
    2-methoxyethanol 941.41
    isobutyl acetate 216.29
    tetrachloromethane 524.53
    n-pentyl acetate 314.53
    transcutol 1198.25
    n-heptanol 353.97
    ethylbenzene 278.39
    MIBK 262.55
    2-propoxyethanol 679.21
    tert-butanol 1086.71
    MTBE 699.85
    2-butoxyethanol 457.7
    propionic acid 483.96
    o-xylene 267.55
    formic acid 391.05
    diethyl ether 648.83
    m-xylene 243.77
    p-xylene 357.61
    chlorobenzene 492.07
    dimethyl carbonate 123.57
    n-octane 61.7
    formamide 445.14
    cyclopentanone 557.2
    2-pentanone 416.02
    anisole 457.19
    cyclopentyl methyl ether 441.76
    gamma-butyrolactone 621.56
    1-methoxy-2-propanol 556.07
    pyridine 845.1
    3-pentanone 313.81
    furfural 747.86
    n-dodecane 51.07
    diethylene glycol 454.71
    diisopropyl ether 176.96
    tert-amyl alcohol 999.44
    acetylacetone 303.7
    n-hexadecane 56.37
    acetophenone 360.9
    methyl propionate 300.97
    isopentyl acetate 387.96
    trichloroethylene 1560.65
    n-nonanol 315.07
    cyclohexanol 659.06
    benzyl alcohol 443.27
    2-ethylhexanol 410.59
    isooctanol 282.24
    dipropyl ether 343.18
    1,2-dichlorobenzene 441.87
    ethyl lactate 178.3
    propylene carbonate 397.37
    n-methylformamide 511.15
    2-pentanol 580.68
    n-pentane 178.56
    1-propoxy-2-propanol 441.85
    1-methoxy-2-propyl acetate 261.89
    2-(2-methoxypropoxy) propanol 375.08
    mesitylene 163.61
    ε-caprolactone 579.82
    p-cymene 186.35
    epichlorohydrin 899.14
    1,1,1-trichloroethane 945.41
    2-aminoethanol 453.85
    morpholine-4-carbaldehyde 679.55
    sulfolane 619.46
    2,2,4-trimethylpentane 100.36
    2-methyltetrahydrofuran 900.19
    n-hexyl acetate 458.46
    isooctane 66.96
    2-(2-butoxyethoxy)ethanol 490.85
    sec-butyl acetate 238.68
    tert-butyl acetate 272.5
    decalin 114.85
    glycerin 288.49
    diglyme 800.6
    acrylic acid 412.53
    isopropyl myristate 174.67
    n-butyric acid 647.38
    acetyl acetate 238.67
    di(2-ethylhexyl) phthalate 172.81
    ethyl propionate 285.17
    nitromethane 802.65
    1,2-diethoxyethane 507.26
    benzonitrile 602.11
    trioctyl phosphate 134.85
    1-bromopropane 675.91
    gamma-valerolactone 731.21
    n-decanol 227.13
    triethyl phosphate 163.16
    4-methyl-2-pentanol 298.32
    propionitrile 680.63
    vinylene carbonate 453.25
    1,1,2-trichlorotrifluoroethane 617.86
    DMS 231.08
    cumene 203.56
    2-octanol 277.28
    2-hexanone 434.8
    octyl acetate 225.63
    limonene 264.58
    1,2-dimethoxyethane 1009.93
    ethyl orthosilicate 170.84
    tributyl phosphate 152.09
    diacetone alcohol 335.3
    N,N-dimethylaniline 316.26
    acrylonitrile 709.43
    aniline 451.59
    1,3-propanediol 647.75
    bromobenzene 526.87
    dibromomethane 1346.56
    1,1,2,2-tetrachloroethane 1145.55
    2-methyl-cyclohexyl acetate 270.11
    tetrabutyl urea 193.48
    diisobutyl methanol 201.92
    2-phenylethanol 386.1
    styrene 348.2
    dioctyl adipate 228.27
    dimethyl sulfate 170.68
    ethyl butyrate 341.95
    methyl lactate 162.09
    butyl lactate 219.75
    diethyl carbonate 249.84
    propanediol butyl ether 348.24
    triethyl orthoformate 226.96
    p-tert-butyltoluene 176.07
    methyl 4-tert-butylbenzoate 284.86
    morpholine 1200.21
    tert-butylamine 837.06
    n-dodecanol 172.02
    dimethoxymethane 407.11
    ethylene carbonate 349.89
    cyrene 299.99
    2-ethoxyethyl acetate 340.69
    2-ethylhexyl acetate 317.97
    1,2,4-trichlorobenzene 481.07
    4-methylpyridine 779.09
    dibutyl ether 349.98
    2,6-dimethyl-4-heptanol 201.92
    DEF 474.58
    dimethyl isosorbide 475.57
    tetrachloroethylene 829.4
    eugenol 327.75
    triacetin 286.88
    span 80 327.68
    1,4-butanediol 338.28
    1,1-dichloroethane 972.06
    2-methyl-1-pentanol 662.83
    methyl formate 364.1
    2-methyl-1-butanol 724.1
    n-decane 83.48
    butyronitrile 820.51
    3,7-dimethyl-1-octanol 325.3
    1-chlorooctane 255.84
    1-chlorotetradecane 108.69
    n-nonane 85.21
    undecane 62.74
    tert-butylcyclohexane 116.14
    cyclooctane 77.53
    cyclopentanol 614.69
    tetrahydropyran 1016.39
    tert-amyl methyl ether 515.3
    2,5,8-trioxanonane 562.01
    1-hexene 448.42
    2-isopropoxyethanol 474.53
    2,2,2-trifluoroethanol 221.79
    methyl butyrate 421.96

    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