Methyl pent-3-enoate

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  • Identifiers

    CAS number
    20515-19-9

    Molecular formula
    C6H10O2

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

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fruity 94.47%
    Green 83.4%
    Apple 59.99%
    Sweet 59.26%
    Pineapple 54.39%
    Tropical 53.14%
    Fresh 49.42%
    Ethereal 46.52%
    Rummy 43.87%
    Sharp 41.11%

     

    Flavor
    Fruity 67.31%
    Floral 38.97%
    Green 33.13%
    Pungent 32.15%
    Tropical 31.27%
    Fresh 27.98%
    Apple 26.73%
    Ethereal 26.21%
    Pineapple 24.92%
    Sweet 23.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.05 (weak base)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    139°C

    Flash point

    • 33.68 ˚C est.

  • Synonyms

    • 20515-19-9
    • Methyl pent-3-enoate
    • 3-pentenoic acid, methyl ester, (3E)-
    • (E)-Pent-3-enoic acid methyl ester
    • 3-Pentenoic acid, methyl ester
    • EINECS 212-453-3
    • DTXSID301031314
    • RefChem:818017
    • DTXCID201516319
    • 212-453-3
    • 628-216-6
    • Methyl trans-3-pentenoate
    • Methyl (E)-3-pentenoate
    • methyl (E)-pent-3-enoate
    • 818-58-6
    • MFCD00191576
    • methyl (3E)-pent-3-enoate
    • 3-Pentenoic Acid Methyl Ester
    • Methyl(E)-3-pentenoate
    • methyl trans-pent-3-enoate
    • SCHEMBL36816
    • Methyl (3E)-3-pentenoate #
    • orb2939586
    • SCHEMBL4203205
    • SCHEMBL6974024
    • SCHEMBL10920430
    • Methyl ester of 3-pentenoic acid
    • Methyl trans-3-pentenoate, 90%
    • (E)-CH3CH=CHCH2C(O)OCH3
    • trans-3-Pentenoic Acid Methyl Ester
    • AKOS015839557
    • HY-W127411
    • SY235102
    • CS-0185645
    • P1210
    • D92089
    • Methyl 3-pentenoate, technical, >=90% (GC)
    • 515P199
    • F099391
    • Q63409290
    • InChI=1/C6H10O2/c1-3-4-5-6(7)8-2/h3-4H,5H2,1-2H3/b4-3
    • 818-58-6

  • Applications

    Methyl pent-3-enoate (CAS 20515-19-9) is an unsaturated ester that can serve as a reactive monomer in radical polymerization to form vinyl-containing polymers for coatings, adhesives, and related plastics. It also serves as an intermediate in the synthesis of fine chemicals, including fragrance-related compounds, and can function as a building block for other specialty chemicals. In fragrance and flavor applications, it may act as a fragrance ingredient or precursor to aroma materials. Additionally, derivatives obtained by selective functionalization (hydrogenation, oxidation, or hydrofunctionalization) illustrate its potential as a precursor for coatings, inks, or specialty plastics formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 574.7
    methanol 665.27
    isopropanol 478.16
    water 6.42
    ethyl acetate 143.87
    n-propanol 403.79
    acetone 208.05
    n-butanol 372.06
    acetonitrile 304.27
    DMF 546.49
    toluene 143.39
    isobutanol 285.07
    1,4-dioxane 524.96
    methyl acetate 220.52
    THF 333.84
    2-butanone 194.82
    n-pentanol 246.59
    sec-butanol 409.18
    n-hexane 34.31
    ethylene glycol 189.03
    NMP 313.88
    cyclohexane 68.38
    DMSO 407.92
    n-butyl acetate 94.45
    n-octanol 134.54
    chloroform 805.11
    n-propyl acetate 78.05
    acetic acid 361.34
    dichloromethane 621.26
    cyclohexanone 225.44
    propylene glycol 248.96
    isopropyl acetate 71.56
    DMAc 464.83
    2-ethoxyethanol 310.61
    isopentanol 244.85
    n-heptane 26.67
    ethyl formate 166.95
    1,2-dichloroethane 258.03
    n-hexanol 211.46
    2-methoxyethanol 568.84
    isobutyl acetate 50.88
    tetrachloromethane 132.53
    n-pentyl acetate 75.03
    transcutol 526.48
    n-heptanol 105.8
    ethylbenzene 88.48
    MIBK 75.6
    2-propoxyethanol 267.16
    tert-butanol 481.32
    MTBE 210.37
    2-butoxyethanol 162.3
    propionic acid 276.2
    o-xylene 114.75
    formic acid 180.27
    diethyl ether 168.45
    m-xylene 89.83
    p-xylene 116.7
    chlorobenzene 165.25
    dimethyl carbonate 58.75
    n-octane 14.01
    formamide 219.29
    cyclopentanone 214.34
    2-pentanone 115.91
    anisole 168.79
    cyclopentyl methyl ether 141.07
    gamma-butyrolactone 255.58
    1-methoxy-2-propanol 357.87
    pyridine 412.8
    3-pentanone 98.23
    furfural 332.19
    n-dodecane 15.43
    diethylene glycol 250.14
    diisopropyl ether 39.99
    tert-amyl alcohol 403.03
    acetylacetone 116.43
    n-hexadecane 16.9
    acetophenone 131.7
    methyl propionate 131.5
    isopentyl acetate 85.63
    trichloroethylene 527.23
    n-nonanol 113.74
    cyclohexanol 304.88
    benzyl alcohol 195.59
    2-ethylhexanol 121.11
    isooctanol 80.16
    dipropyl ether 81.15
    1,2-dichlorobenzene 142.64
    ethyl lactate 79.56
    propylene carbonate 149.95
    n-methylformamide 294.4
    2-pentanol 224.94
    n-pentane 42.57
    1-propoxy-2-propanol 181.94
    1-methoxy-2-propyl acetate 94.67
    2-(2-methoxypropoxy) propanol 178.2
    mesitylene 56.06
    ε-caprolactone 212.87
    p-cymene 53.27
    epichlorohydrin 324.95
    1,1,1-trichloroethane 292.75
    2-aminoethanol 337.03
    morpholine-4-carbaldehyde 411.12
    sulfolane 282.24
    2,2,4-trimethylpentane 24.89
    2-methyltetrahydrofuran 289.19
    n-hexyl acetate 125.55
    isooctane 14.8
    2-(2-butoxyethoxy)ethanol 213.19
    sec-butyl acetate 55.94
    tert-butyl acetate 81.95
    decalin 33.59
    glycerin 280.12
    diglyme 344.16
    acrylic acid 244.64
    isopropyl myristate 57.16
    n-butyric acid 271.63
    acetyl acetate 93.05
    di(2-ethylhexyl) phthalate 68.19
    ethyl propionate 76.55
    nitromethane 367.29
    1,2-diethoxyethane 145.9
    benzonitrile 213.84
    trioctyl phosphate 46.26
    1-bromopropane 203.36
    gamma-valerolactone 333.32
    n-decanol 86.6
    triethyl phosphate 60.11
    4-methyl-2-pentanol 104.96
    propionitrile 245.9
    vinylene carbonate 175.99
    1,1,2-trichlorotrifluoroethane 332.42
    DMS 86.88
    cumene 63.98
    2-octanol 82.46
    2-hexanone 95.95
    octyl acetate 76.28
    limonene 80.67
    1,2-dimethoxyethane 374.25
    ethyl orthosilicate 57.16
    tributyl phosphate 52.56
    diacetone alcohol 146.59
    N,N-dimethylaniline 131.84
    acrylonitrile 302.55
    aniline 228.54
    1,3-propanediol 397.76
    bromobenzene 166.08
    dibromomethane 395.97
    1,1,2,2-tetrachloroethane 439.68
    2-methyl-cyclohexyl acetate 83.58
    tetrabutyl urea 76.56
    diisobutyl methanol 67.27
    2-phenylethanol 148.26
    styrene 113.67
    dioctyl adipate 90.46
    dimethyl sulfate 99.04
    ethyl butyrate 82.13
    methyl lactate 112.02
    butyl lactate 78.12
    diethyl carbonate 73.5
    propanediol butyl ether 175.17
    triethyl orthoformate 69.53
    p-tert-butyltoluene 55.11
    methyl 4-tert-butylbenzoate 126.85
    morpholine 624.08
    tert-butylamine 314.36
    n-dodecanol 68.38
    dimethoxymethane 205.64
    ethylene carbonate 127.66
    cyrene 138.98
    2-ethoxyethyl acetate 104.87
    2-ethylhexyl acetate 68.8
    1,2,4-trichlorobenzene 181.42
    4-methylpyridine 345.68
    dibutyl ether 93.19
    2,6-dimethyl-4-heptanol 67.27
    DEF 208.0
    dimethyl isosorbide 191.94
    tetrachloroethylene 289.43
    eugenol 144.38
    triacetin 120.28
    span 80 165.01
    1,4-butanediol 183.53
    1,1-dichloroethane 343.69
    2-methyl-1-pentanol 188.07
    methyl formate 177.82
    2-methyl-1-butanol 267.02
    n-decane 22.52
    butyronitrile 257.08
    3,7-dimethyl-1-octanol 117.14
    1-chlorooctane 71.11
    1-chlorotetradecane 34.11
    n-nonane 21.98
    undecane 18.28
    tert-butylcyclohexane 32.71
    cyclooctane 18.34
    cyclopentanol 292.17
    tetrahydropyran 365.36
    tert-amyl methyl ether 159.44
    2,5,8-trioxanonane 277.36
    1-hexene 111.33
    2-isopropoxyethanol 191.1
    2,2,2-trifluoroethanol 119.05
    methyl butyrate 111.16

    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