2-Pentenoic acid, 4-methyl-, ethyl ester

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  • Identifiers

    CAS number
    2351-97-5

    Molecular formula
    C8H14O2

    SMILES
    CCOC(=O)C=CC(C)C

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  • Odor profile

    Fragrance
    Fruity 97.28%
    Apple 74.75%
    Green 68.81%
    Pineapple 62.16%
    Tropical 53.78%
    Sweet 53.75%
    Banana 49.71%
    Pear 45.05%
    Berry 41.57%
    Winey 40.83%

     

    Flavor
    Fruity 70.28%
    Tropical 34.36%
    Sweet 33.84%
    Berry 33.52%
    Green 28.36%
    Pineapple 26.52%
    Apple 26.04%
    Cheese 22.06%
    Fruit 20.9%
    Strawberry 19.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.96 (neutral)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    169°C

    Flash point

    • 50.89 ˚C est.

  • Synonyms

    • 2351-97-5
    • DTXSID201276644
    • 2-Pentenoic acid, 4-methyl-, ethyl ester
    • RefChem:1064105
    • DTXCID701707171
    • 607-243-7
    • ethyl 4-methylpent-2-enoate
    • Ethyl 4-Methyl-2-Pentenoate
    • Pregabalin Impurity 173
    • SCHEMBL691282
    • 2351-97-5

  • Applications

    2-Pentenoic acid, 4-methyl-, ethyl ester (CAS 2351-97-5) is typically used as a fragrance-related intermediate and aroma compound; in perfumery it may serve as a fragrance ingredient or as a building block for other aroma chemicals; in the flavor industry it can be employed as a flavor ester or a precursor for flavor formulations; in cosmetics and personal care, as well as in household products and cleaners, it may appear as a fragrance component; in industrial manufacturing it is evaluated as an intermediate for producing specialty chemicals; and in coatings and inks it may be incorporated as a fragrance additive in scented formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 599.76
    methanol 743.4
    isopropanol 570.07
    water 1.17
    ethyl acetate 181.29
    n-propanol 467.27
    acetone 348.0
    n-butanol 462.56
    acetonitrile 212.93
    DMF 780.11
    toluene 186.25
    isobutanol 365.94
    1,4-dioxane 530.86
    methyl acetate 202.25
    THF 703.41
    2-butanone 266.28
    n-pentanol 324.31
    sec-butanol 454.23
    n-hexane 108.87
    ethylene glycol 146.57
    NMP 505.47
    cyclohexane 145.4
    DMSO 433.64
    n-butyl acetate 254.06
    n-octanol 197.89
    chloroform 932.7
    n-propyl acetate 126.76
    acetic acid 421.73
    dichloromethane 557.79
    cyclohexanone 432.43
    propylene glycol 237.82
    isopropyl acetate 129.96
    DMAc 525.17
    2-ethoxyethanol 288.35
    isopentanol 384.18
    n-heptane 52.93
    ethyl formate 171.4
    1,2-dichloroethane 340.11
    n-hexanol 444.83
    2-methoxyethanol 526.53
    isobutyl acetate 102.37
    tetrachloromethane 137.2
    n-pentyl acetate 146.01
    transcutol 667.98
    n-heptanol 167.44
    ethylbenzene 124.88
    MIBK 155.14
    2-propoxyethanol 459.27
    tert-butanol 654.73
    MTBE 349.01
    2-butoxyethanol 238.08
    propionic acid 280.86
    o-xylene 130.12
    formic acid 131.6
    diethyl ether 253.53
    m-xylene 136.52
    p-xylene 156.28
    chlorobenzene 240.3
    dimethyl carbonate 77.52
    n-octane 25.73
    formamide 126.54
    cyclopentanone 421.37
    2-pentanone 216.4
    anisole 202.86
    cyclopentyl methyl ether 286.63
    gamma-butyrolactone 408.29
    1-methoxy-2-propanol 408.35
    pyridine 439.4
    3-pentanone 149.14
    furfural 415.84
    n-dodecane 24.13
    diethylene glycol 339.12
    diisopropyl ether 85.11
    tert-amyl alcohol 505.69
    acetylacetone 205.93
    n-hexadecane 26.81
    acetophenone 175.32
    methyl propionate 160.18
    isopentyl acetate 237.54
    trichloroethylene 686.56
    n-nonanol 168.22
    cyclohexanol 422.69
    benzyl alcohol 207.15
    2-ethylhexanol 238.15
    isooctanol 131.39
    dipropyl ether 163.32
    1,2-dichlorobenzene 207.46
    ethyl lactate 107.34
    propylene carbonate 267.14
    n-methylformamide 260.78
    2-pentanol 309.77
    n-pentane 90.11
    1-propoxy-2-propanol 339.4
    1-methoxy-2-propyl acetate 203.11
    2-(2-methoxypropoxy) propanol 256.24
    mesitylene 93.28
    ε-caprolactone 347.87
    p-cymene 88.55
    epichlorohydrin 464.01
    1,1,1-trichloroethane 373.49
    2-aminoethanol 269.07
    morpholine-4-carbaldehyde 473.9
    sulfolane 476.36
    2,2,4-trimethylpentane 47.27
    2-methyltetrahydrofuran 484.74
    n-hexyl acetate 241.66
    isooctane 34.17
    2-(2-butoxyethoxy)ethanol 312.21
    sec-butyl acetate 105.34
    tert-butyl acetate 173.37
    decalin 65.1
    glycerin 247.72
    diglyme 470.13
    acrylic acid 246.14
    isopropyl myristate 100.58
    n-butyric acid 395.59
    acetyl acetate 120.06
    di(2-ethylhexyl) phthalate 118.6
    ethyl propionate 116.92
    nitromethane 341.42
    1,2-diethoxyethane 221.67
    benzonitrile 252.7
    trioctyl phosphate 84.65
    1-bromopropane 284.83
    gamma-valerolactone 505.15
    n-decanol 125.06
    triethyl phosphate 95.6
    4-methyl-2-pentanol 185.34
    propionitrile 245.64
    vinylene carbonate 250.89
    1,1,2-trichlorotrifluoroethane 394.04
    DMS 150.53
    cumene 91.74
    2-octanol 127.43
    2-hexanone 182.41
    octyl acetate 132.56
    limonene 141.88
    1,2-dimethoxyethane 474.68
    ethyl orthosilicate 95.16
    tributyl phosphate 95.56
    diacetone alcohol 248.15
    N,N-dimethylaniline 165.79
    acrylonitrile 262.73
    aniline 242.4
    1,3-propanediol 359.25
    bromobenzene 241.75
    dibromomethane 433.44
    1,1,2,2-tetrachloroethane 637.13
    2-methyl-cyclohexyl acetate 151.3
    tetrabutyl urea 131.12
    diisobutyl methanol 130.38
    2-phenylethanol 234.78
    styrene 158.92
    dioctyl adipate 144.69
    dimethyl sulfate 123.6
    ethyl butyrate 150.57
    methyl lactate 134.73
    butyl lactate 145.06
    diethyl carbonate 121.74
    propanediol butyl ether 263.32
    triethyl orthoformate 127.05
    p-tert-butyltoluene 91.82
    methyl 4-tert-butylbenzoate 187.08
    morpholine 668.51
    tert-butylamine 442.41
    n-dodecanol 97.74
    dimethoxymethane 284.76
    ethylene carbonate 204.13
    cyrene 188.83
    2-ethoxyethyl acetate 170.0
    2-ethylhexyl acetate 187.3
    1,2,4-trichlorobenzene 251.92
    4-methylpyridine 427.13
    dibutyl ether 159.75
    2,6-dimethyl-4-heptanol 130.38
    DEF 296.65
    dimethyl isosorbide 307.32
    tetrachloroethylene 392.77
    eugenol 207.0
    triacetin 186.16
    span 80 265.13
    1,4-butanediol 172.27
    1,1-dichloroethane 413.74
    2-methyl-1-pentanol 291.37
    methyl formate 184.33
    2-methyl-1-butanol 358.6
    n-decane 37.22
    butyronitrile 306.8
    3,7-dimethyl-1-octanol 193.27
    1-chlorooctane 117.37
    1-chlorotetradecane 55.33
    n-nonane 36.15
    undecane 29.14
    tert-butylcyclohexane 61.9
    cyclooctane 43.92
    cyclopentanol 401.53
    tetrahydropyran 523.82
    tert-amyl methyl ether 256.72
    2,5,8-trioxanonane 349.63
    1-hexene 239.51
    2-isopropoxyethanol 202.07
    2,2,2-trifluoroethanol 113.35
    methyl butyrate 175.33

    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