Methyl 3-ethylpentanoate

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  • Identifiers

    CAS number
    63540-23-8

    Molecular formula
    C8H16O2

    SMILES
    CCC(CC)CC(=O)OC

  • Odor profile

    Fragrance
    Fruity 97.25%
    Apple 54.8%
    Sweet 54.54%
    Pineapple 51.05%
    Green 46.04%
    Banana 44.36%
    Tropical 42.22%
    Winey 41.44%
    Ripe 36.2%
    Ethereal 36.11%

     

    Flavor
    Fruity 73.92%
    Green 58.06%
    Tropical 41.03%
    Apple 36.29%
    Sweet 35.74%
    Floral 35.64%
    Pineapple 35.1%
    Waxy 33.12%
    Herbal 31.24%
    Berry 30.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.66 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    161°C

    Flash point

    • 56.23 ˚C est.

  • Synonyms

    • Methyl 3-ethylpentanoate
    • 63540-23-8
    • SCHEMBL7888718
    • DTXSID80730696
    • DS-001186

  • Applications

    Methyl 3-ethylpentanoate (CAS 63540-23-8) is an ester commonly used as a fragrance ingredient and odorant in perfumery and cosmetics; it may also serve as a flavor/aroma component in the food sector; in addition, it can function as an intermediate in organic synthesis for use in industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 673.95
    methanol 714.29
    isopropanol 728.27
    water 0.95
    ethyl acetate 212.06
    n-propanol 594.06
    acetone 333.91
    n-butanol 505.05
    acetonitrile 378.61
    DMF 579.43
    toluene 213.62
    isobutanol 430.24
    1,4-dioxane 805.26
    methyl acetate 267.59
    THF 734.09
    2-butanone 316.85
    n-pentanol 346.99
    sec-butanol 565.02
    n-hexane 51.85
    ethylene glycol 132.34
    NMP 430.89
    cyclohexane 137.02
    DMSO 433.94
    n-butyl acetate 257.95
    n-octanol 183.52
    chloroform 1673.69
    n-propyl acetate 150.89
    acetic acid 433.76
    dichloromethane 1136.98
    cyclohexanone 555.05
    propylene glycol 229.29
    isopropyl acetate 123.29
    DMAc 377.02
    2-ethoxyethanol 325.06
    isopentanol 368.8
    n-heptane 39.26
    ethyl formate 246.54
    1,2-dichloroethane 542.95
    n-hexanol 370.7
    2-methoxyethanol 577.3
    isobutyl acetate 107.93
    tetrachloromethane 264.94
    n-pentyl acetate 168.38
    transcutol 530.23
    n-heptanol 174.62
    ethylbenzene 134.97
    MIBK 127.75
    2-propoxyethanol 408.45
    tert-butanol 713.6
    MTBE 322.87
    2-butoxyethanol 244.6
    propionic acid 387.34
    o-xylene 156.2
    formic acid 127.76
    diethyl ether 253.41
    m-xylene 133.28
    p-xylene 188.74
    chlorobenzene 351.3
    dimethyl carbonate 53.98
    n-octane 20.7
    formamide 151.54
    cyclopentanone 503.31
    2-pentanone 199.69
    anisole 220.44
    cyclopentyl methyl ether 247.99
    gamma-butyrolactone 529.9
    1-methoxy-2-propanol 394.42
    pyridine 715.24
    3-pentanone 144.33
    furfural 590.51
    n-dodecane 19.15
    diethylene glycol 283.38
    diisopropyl ether 63.12
    tert-amyl alcohol 516.22
    acetylacetone 182.99
    n-hexadecane 22.1
    acetophenone 195.58
    methyl propionate 156.27
    isopentyl acetate 234.25
    trichloroethylene 1028.81
    n-nonanol 155.27
    cyclohexanol 503.5
    benzyl alcohol 248.88
    2-ethylhexanol 209.05
    isooctanol 138.72
    dipropyl ether 136.2
    1,2-dichlorobenzene 300.36
    ethyl lactate 103.5
    propylene carbonate 340.91
    n-methylformamide 298.95
    2-pentanol 306.2
    n-pentane 51.56
    1-propoxy-2-propanol 298.43
    1-methoxy-2-propyl acetate 173.98
    2-(2-methoxypropoxy) propanol 202.3
    mesitylene 90.56
    ε-caprolactone 468.57
    p-cymene 99.58
    epichlorohydrin 643.37
    1,1,1-trichloroethane 619.3
    2-aminoethanol 297.52
    morpholine-4-carbaldehyde 466.53
    sulfolane 574.57
    2,2,4-trimethylpentane 31.44
    2-methyltetrahydrofuran 560.1
    n-hexyl acetate 240.37
    isooctane 22.12
    2-(2-butoxyethoxy)ethanol 262.76
    sec-butyl acetate 104.32
    tert-butyl acetate 142.95
    decalin 50.43
    glycerin 230.85
    diglyme 423.2
    acrylic acid 300.14
    isopropyl myristate 93.23
    n-butyric acid 468.41
    acetyl acetate 129.48
    di(2-ethylhexyl) phthalate 109.96
    ethyl propionate 119.95
    nitromethane 392.56
    1,2-diethoxyethane 204.68
    benzonitrile 390.82
    trioctyl phosphate 78.6
    1-bromopropane 404.3
    gamma-valerolactone 645.55
    n-decanol 111.99
    triethyl phosphate 92.84
    4-methyl-2-pentanol 152.49
    propionitrile 397.37
    vinylene carbonate 342.92
    1,1,2-trichlorotrifluoroethane 479.34
    DMS 132.16
    cumene 96.0
    2-octanol 135.56
    2-hexanone 184.13
    octyl acetate 122.47
    limonene 151.11
    1,2-dimethoxyethane 453.51
    ethyl orthosilicate 89.25
    tributyl phosphate 86.33
    diacetone alcohol 223.09
    N,N-dimethylaniline 147.97
    acrylonitrile 447.91
    aniline 302.87
    1,3-propanediol 413.57
    bromobenzene 365.67
    dibromomethane 807.3
    1,1,2,2-tetrachloroethane 930.03
    2-methyl-cyclohexyl acetate 158.0
    tetrabutyl urea 113.84
    diisobutyl methanol 115.21
    2-phenylethanol 237.94
    styrene 166.53
    dioctyl adipate 134.17
    dimethyl sulfate 94.28
    ethyl butyrate 156.18
    methyl lactate 116.32
    butyl lactate 154.86
    diethyl carbonate 121.62
    propanediol butyl ether 247.67
    triethyl orthoformate 125.94
    p-tert-butyltoluene 98.92
    methyl 4-tert-butylbenzoate 192.25
    morpholine 959.97
    tert-butylamine 420.71
    n-dodecanol 84.81
    dimethoxymethane 202.18
    ethylene carbonate 274.69
    cyrene 188.75
    2-ethoxyethyl acetate 188.2
    2-ethylhexyl acetate 184.06
    1,2,4-trichlorobenzene 354.06
    4-methylpyridine 574.04
    dibutyl ether 141.81
    2,6-dimethyl-4-heptanol 115.21
    DEF 238.82
    dimethyl isosorbide 296.96
    tetrachloroethylene 608.34
    eugenol 197.44
    triacetin 171.61
    span 80 235.12
    1,4-butanediol 188.09
    1,1-dichloroethane 718.24
    2-methyl-1-pentanol 268.76
    methyl formate 198.68
    2-methyl-1-butanol 352.13
    n-decane 30.1
    butyronitrile 438.03
    3,7-dimethyl-1-octanol 165.78
    1-chlorooctane 111.71
    1-chlorotetradecane 49.05
    n-nonane 30.43
    undecane 23.36
    tert-butylcyclohexane 47.1
    cyclooctane 31.08
    cyclopentanol 546.65
    tetrahydropyran 721.75
    tert-amyl methyl ether 206.91
    2,5,8-trioxanonane 308.65
    1-hexene 181.62
    2-isopropoxyethanol 218.74
    2,2,2-trifluoroethanol 113.15
    methyl butyrate 196.52

    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