Methyl penta-2,4-dienoate

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  • Identifiers

    CAS number
    1515-75-9

    Molecular formula
    C6H8O2

    SMILES
    COC(=O)/C=C/C=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 90.3%
    Pungent 63.95%
    Green 59.5%
    Sharp 52.36%
    Spicy 43.62%
    Sweet 40.03%
    Ethereal 39.74%
    Rummy 35.14%
    Apple 33.68%
    Pineapple 32.84%

     

    Flavor
    Fruity 46.06%
    Pungent 36.29%
    Mustard 20.34%
    Formyl 19.33%
    Filbert 19.3%
    Matches 19.14%
    Roquefort cheese 19.12%
    Mousy 18.68%
    Strawberry 18.66%
    Soy 18.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.37 (neutral)

    Molecular weight
    112.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    157°C

    Flash point

    • 30.71 ˚C est.

  • Synonyms

    • 1515-75-9
    • Methyl penta-2,4-dienoate
    • EINECS 216-158-0
    • RefChem:356819
    • 216-158-0
    • 2409-87-2
    • (E)-methyl penta-2,4-dienoate
    • methyl (2E)-penta-2,4-dienoate
    • Methyl 1,3-butadiene-1-carboxylate
    • Methyl 2,4-pentadienoate
    • 1,3-Butadiene-1-carboxylic acid methyl ester
    • (2E)-2,4-PentadienoicAcidMethylEster
    • 2,4-Pentadienoic acid, methyl ester
    • MFCD00042847
    • (2E)-2,4-Pentadienoic Acid Methyl Ester
    • Methyl (E)-Penta-2,4-dienoate
    • methyl pentadienoate
    • (2E)-penta-2,4-dienoic acid methyl ester
    • Methylpenta-2,4-dienoate
    • SCHEMBL1408587
    • Methyl(E)-penta-2,4-dienoate
    • (E)-methyl-penta-2,4-dienoate
    • BS-21539
    • SY356351
    • E77965
    • F552719
    • 1515-75-9

  • Applications

    Chemical name: Methyl penta-2,4-dienoate; CAS number: 1515-75-9. Methyl penta-2,4-dienoate is used primarily as an intermediate in the synthesis of fragrance chemicals and related formulations for the perfumery and cosmetics industries, helping to develop aroma components. It is also used as a reactive diluent or processing solvent and can function as a comonomer in polymer and coating systems, especially in paints and UV-curable inks. Owing to its C=C double bonds, it may act as a monomer or crosslinking agent in plastics, adhesives, and other industrial formulations. Additionally, it is considered an intermediate in the synthesis of other specialty chemicals for various industrial sectors. These applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 180.2
    methanol 230.63
    isopropanol 138.5
    water 1.23
    ethyl acetate 118.71
    n-propanol 133.98
    acetone 143.79
    n-butanol 140.85
    acetonitrile 181.79
    DMF 304.02
    toluene 99.6
    isobutanol 106.17
    1,4-dioxane 268.88
    methyl acetate 170.53
    THF 238.2
    2-butanone 158.89
    n-pentanol 116.48
    sec-butanol 154.76
    n-hexane 24.27
    ethylene glycol 55.79
    NMP 242.04
    cyclohexane 39.49
    DMSO 253.17
    n-butyl acetate 109.73
    n-octanol 88.16
    chloroform 376.09
    n-propyl acetate 87.33
    acetic acid 145.93
    dichloromethane 400.3
    cyclohexanone 171.45
    propylene glycol 58.48
    isopropyl acetate 61.56
    DMAc 322.31
    2-ethoxyethanol 166.08
    isopentanol 120.09
    n-heptane 24.1
    ethyl formate 128.99
    1,2-dichloroethane 199.14
    n-hexanol 120.42
    2-methoxyethanol 227.39
    isobutyl acetate 53.19
    tetrachloromethane 65.73
    n-pentyl acetate 71.27
    transcutol 360.47
    n-heptanol 66.53
    ethylbenzene 79.35
    MIBK 66.73
    2-propoxyethanol 157.06
    tert-butanol 190.57
    MTBE 136.43
    2-butoxyethanol 104.88
    propionic acid 122.52
    o-xylene 90.49
    formic acid 67.13
    diethyl ether 116.05
    m-xylene 73.19
    p-xylene 100.81
    chlorobenzene 117.72
    dimethyl carbonate 53.7
    n-octane 12.6
    formamide 105.64
    cyclopentanone 181.95
    2-pentanone 100.73
    anisole 139.29
    cyclopentyl methyl ether 104.42
    gamma-butyrolactone 214.04
    1-methoxy-2-propanol 149.39
    pyridine 244.74
    3-pentanone 90.15
    furfural 256.6
    n-dodecane 13.39
    diethylene glycol 124.4
    diisopropyl ether 36.36
    tert-amyl alcohol 191.1
    acetylacetone 98.55
    n-hexadecane 14.74
    acetophenone 123.66
    methyl propionate 107.92
    isopentyl acetate 90.27
    trichloroethylene 367.88
    n-nonanol 77.39
    cyclohexanol 127.39
    benzyl alcohol 117.75
    2-ethylhexanol 88.33
    isooctanol 55.95
    dipropyl ether 79.23
    1,2-dichlorobenzene 115.61
    ethyl lactate 62.66
    propylene carbonate 128.96
    n-methylformamide 150.87
    2-pentanol 98.29
    n-pentane 25.39
    1-propoxy-2-propanol 116.5
    1-methoxy-2-propyl acetate 86.41
    2-(2-methoxypropoxy) propanol 137.77
    mesitylene 48.63
    ε-caprolactone 159.31
    p-cymene 53.59
    epichlorohydrin 258.51
    1,1,1-trichloroethane 195.74
    2-aminoethanol 92.43
    morpholine-4-carbaldehyde 248.36
    sulfolane 240.95
    2,2,4-trimethylpentane 17.93
    2-methyltetrahydrofuran 197.36
    n-hexyl acetate 111.07
    isooctane 11.57
    2-(2-butoxyethoxy)ethanol 163.84
    sec-butyl acetate 57.95
    tert-butyl acetate 73.01
    decalin 26.89
    glycerin 80.22
    diglyme 270.04
    acrylic acid 116.08
    isopropyl myristate 55.69
    n-butyric acid 130.94
    acetyl acetate 72.12
    di(2-ethylhexyl) phthalate 57.63
    ethyl propionate 87.46
    nitromethane 232.03
    1,2-diethoxyethane 135.71
    benzonitrile 152.19
    trioctyl phosphate 40.69
    1-bromopropane 140.04
    gamma-valerolactone 221.22
    n-decanol 60.75
    triethyl phosphate 59.25
    4-methyl-2-pentanol 57.55
    propionitrile 161.51
    vinylene carbonate 140.17
    1,1,2-trichlorotrifluoroethane 187.94
    DMS 83.38
    cumene 58.54
    2-octanol 54.0
    2-hexanone 102.25
    octyl acetate 70.96
    limonene 75.83
    1,2-dimethoxyethane 274.0
    ethyl orthosilicate 54.99
    tributyl phosphate 49.97
    diacetone alcohol 106.92
    N,N-dimethylaniline 111.89
    acrylonitrile 195.79
    aniline 116.32
    1,3-propanediol 120.64
    bromobenzene 125.74
    dibromomethane 260.03
    1,1,2,2-tetrachloroethane 272.17
    2-methyl-cyclohexyl acetate 84.35
    tetrabutyl urea 73.31
    diisobutyl methanol 53.7
    2-phenylethanol 104.5
    styrene 96.41
    dioctyl adipate 86.73
    dimethyl sulfate 86.43
    ethyl butyrate 97.17
    methyl lactate 69.39
    butyl lactate 64.78
    diethyl carbonate 79.18
    propanediol butyl ether 98.3
    triethyl orthoformate 70.15
    p-tert-butyltoluene 49.75
    methyl 4-tert-butylbenzoate 110.04
    morpholine 276.75
    tert-butylamine 132.41
    n-dodecanol 49.0
    dimethoxymethane 143.27
    ethylene carbonate 98.31
    cyrene 109.32
    2-ethoxyethyl acetate 94.1
    2-ethylhexyl acetate 74.23
    1,2,4-trichlorobenzene 137.08
    4-methylpyridine 214.17
    dibutyl ether 89.37
    2,6-dimethyl-4-heptanol 53.7
    DEF 169.19
    dimethyl isosorbide 173.41
    tetrachloroethylene 183.67
    eugenol 116.14
    triacetin 105.77
    span 80 112.51
    1,4-butanediol 65.32
    1,1-dichloroethane 204.78
    2-methyl-1-pentanol 112.38
    methyl formate 118.51
    2-methyl-1-butanol 121.03
    n-decane 19.71
    butyronitrile 165.05
    3,7-dimethyl-1-octanol 83.24
    1-chlorooctane 60.43
    1-chlorotetradecane 30.33
    n-nonane 19.07
    undecane 16.03
    tert-butylcyclohexane 25.72
    cyclooctane 13.64
    cyclopentanol 124.22
    tetrahydropyran 193.34
    tert-amyl methyl ether 119.02
    2,5,8-trioxanonane 220.92
    1-hexene 76.0
    2-isopropoxyethanol 115.54
    2,2,2-trifluoroethanol 56.17
    methyl butyrate 126.15

    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