Ethyl 4-methylpentanoate

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  • Identifiers

    CAS number
    25415-67-2

    Molecular formula
    C8H16O2

    SMILES
    CCOC(=O)CCC(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 97.98%
    Apple 75.38%
    Pineapple 64.61%
    Banana 54.2%
    Sweet 51.84%
    Winey 43.55%
    Pear 40.77%
    Tropical 40.26%
    Ripe 39.4%
    Green 39.06%

     

    Flavor
    Fruity 82.88%
    Pineapple 65.55%
    Sweet 60.76%
    Apple 57.12%
    Banana 52.04%
    Tropical 49.14%
    Green 47.77%
    Fruit 45.79%
    Ripe 38.12%
    Pear 36.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.49 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 160.00 to 163.00 °C. @ 760.00 mm Hg

    Flash point

    • 48.69 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble
    • Insoluble (in ethanol)

  • Synonyms

    • Ethyl 4-methylvalerate
    • Ethyl 4-methylpentanoate
    • 25415-67-2
    • Ethyl isocaproate
    • Pentanoic acid, 4-methyl-, ethyl ester
    • Ethyl isohexanoate
    • Valeric acid, 4-methyl-, ethyl ester
    • 4-Methylvaleric Acid Ethyl Ester
    • UNII-DZX6U00Q87
    • Ethyl iso-hexanoate
    • DZX6U00Q87
    • EINECS 246-955-9
    • AI3-33648
    • DTXSID6067094
    • FEMA NO. 4343
    • ETHYL 4-METHYLPENTANOATE [FHFI]
    • ethyl 4-methyl valerate
    • Ethyl 4-Methylpentanoate; Ethyl 4-Methylvalerate; Ethyl Isocaproate; Ethyl Isohexanoate; 4-Methylpentanoic Acid Ethyl Ester
    • ethyl isobutylacetate
    • MFCD00042887
    • Ethyl4-methylpentanoate
    • Ethyl-4-methyl-pentanoate
    • Ethyl 4-methylpentanoic acid
    • SCHEMBL103981
    • DTXCID4037299
    • CHEBI:89445
    • LMFA07010869
    • Pentanoic acid,4-methyl-,ethyl ester
    • AKOS009165289
    • FE52521
    • BS-22311
    • Ethyl 4-methylvalerate, >=97.0% (GC)
    • DB-067395
    • CS-0151589
    • NS00021943
    • D81903
    • Q27161641
    • 246-955-9

  • Applications

    Ethyl 4-methylpentanoate (CAS 25415-67-2) is primarily used as a fragrance ingredient, delivering fruity notes in perfumery and cosmetic formulations. It is also evaluated as a flavor component in select food-flavor applications. In industrial manufacturing, it serves as an intermediate in the synthesis of other aroma chemicals and fragrance blends. It is encountered in household products as a fragrance additive (air fresheners, cleaners) and may be used in coatings or inks where a characteristic ester scent is desirable. The material can function as a solvent or carrier in certain formulation systems, and its volatility makes it suitable for scent-release applications subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1696.49
    methanol 2256.73
    isopropanol 1591.56
    water 3.4
    ethyl acetate 386.36
    n-propanol 1215.98
    acetone 679.52
    n-butanol 1101.13
    acetonitrile 530.84
    DMF 974.88
    toluene 297.42
    isobutanol 895.54
    1,4-dioxane 1177.35
    methyl acetate 407.12
    THF 1258.37
    2-butanone 504.44
    n-pentanol 749.38
    sec-butanol 1111.16
    n-hexane 211.81
    ethylene glycol 313.28
    NMP 630.01
    cyclohexane 272.91
    DMSO 651.23
    n-butyl acetate 498.99
    n-octanol 364.38
    chloroform 1942.01
    n-propyl acetate 252.25
    acetic acid 1077.01
    dichloromethane 1096.15
    cyclohexanone 834.92
    propylene glycol 502.41
    isopropyl acetate 273.81
    DMAc 721.09
    2-ethoxyethanol 645.13
    isopentanol 846.91
    n-heptane 92.6
    ethyl formate 360.08
    1,2-dichloroethane 578.23
    n-hexanol 934.74
    2-methoxyethanol 1144.13
    isobutyl acetate 208.63
    tetrachloromethane 310.03
    n-pentyl acetate 275.9
    transcutol 1274.76
    n-heptanol 326.51
    ethylbenzene 196.75
    MIBK 275.68
    2-propoxyethanol 929.77
    tert-butanol 1559.58
    MTBE 785.96
    2-butoxyethanol 474.64
    propionic acid 624.03
    o-xylene 199.35
    formic acid 349.4
    diethyl ether 551.5
    m-xylene 208.16
    p-xylene 269.61
    chlorobenzene 413.68
    dimethyl carbonate 95.12
    n-octane 40.12
    formamide 276.48
    cyclopentanone 691.91
    2-pentanone 394.56
    anisole 324.49
    cyclopentyl methyl ether 487.91
    gamma-butyrolactone 662.32
    1-methoxy-2-propanol 807.39
    pyridine 848.37
    3-pentanone 246.15
    furfural 701.51
    n-dodecane 35.03
    diethylene glycol 636.35
    diisopropyl ether 162.54
    tert-amyl alcohol 1102.95
    acetylacetone 338.03
    n-hexadecane 38.79
    acetophenone 275.48
    methyl propionate 256.79
    isopentyl acetate 462.01
    trichloroethylene 1130.54
    n-nonanol 297.98
    cyclohexanol 911.7
    benzyl alcohol 370.08
    2-ethylhexanol 436.02
    isooctanol 247.56
    dipropyl ether 314.58
    1,2-dichlorobenzene 336.74
    ethyl lactate 171.56
    propylene carbonate 426.28
    n-methylformamide 463.96
    2-pentanol 703.91
    n-pentane 167.16
    1-propoxy-2-propanol 646.45
    1-methoxy-2-propyl acetate 335.31
    2-(2-methoxypropoxy) propanol 407.56
    mesitylene 140.29
    ε-caprolactone 684.84
    p-cymene 134.81
    epichlorohydrin 733.65
    1,1,1-trichloroethane 684.37
    2-aminoethanol 638.26
    morpholine-4-carbaldehyde 759.94
    sulfolane 663.32
    2,2,4-trimethylpentane 74.74
    2-methyltetrahydrofuran 939.48
    n-hexyl acetate 424.02
    isooctane 53.81
    2-(2-butoxyethoxy)ethanol 529.91
    sec-butyl acetate 207.4
    tert-butyl acetate 305.93
    decalin 101.73
    glycerin 499.04
    diglyme 802.12
    acrylic acid 498.15
    isopropyl myristate 164.13
    n-butyric acid 947.02
    acetyl acetate 231.75
    di(2-ethylhexyl) phthalate 188.56
    ethyl propionate 198.54
    nitromethane 704.0
    1,2-diethoxyethane 446.13
    benzonitrile 486.63
    trioctyl phosphate 131.95
    1-bromopropane 525.39
    gamma-valerolactone 916.94
    n-decanol 206.53
    triethyl phosphate 136.86
    4-methyl-2-pentanol 368.46
    propionitrile 539.82
    vinylene carbonate 415.67
    1,1,2-trichlorotrifluoroethane 699.56
    DMS 218.16
    cumene 141.6
    2-octanol 241.07
    2-hexanone 355.99
    octyl acetate 211.78
    limonene 224.6
    1,2-dimethoxyethane 908.9
    ethyl orthosilicate 148.63
    tributyl phosphate 156.04
    diacetone alcohol 422.87
    N,N-dimethylaniline 239.91
    acrylonitrile 535.75
    aniline 441.96
    1,3-propanediol 849.17
    bromobenzene 394.55
    dibromomethane 829.01
    1,1,2,2-tetrachloroethane 1113.76
    2-methyl-cyclohexyl acetate 246.87
    tetrabutyl urea 189.29
    diisobutyl methanol 225.38
    2-phenylethanol 403.67
    styrene 255.4
    dioctyl adipate 227.24
    dimethyl sulfate 144.67
    ethyl butyrate 260.5
    methyl lactate 208.13
    butyl lactate 250.32
    diethyl carbonate 183.41
    propanediol butyl ether 485.09
    triethyl orthoformate 216.87
    p-tert-butyltoluene 137.96
    methyl 4-tert-butylbenzoate 270.47
    morpholine 1458.08
    tert-butylamine 997.48
    n-dodecanol 155.81
    dimethoxymethane 391.89
    ethylene carbonate 354.14
    cyrene 292.42
    2-ethoxyethyl acetate 316.25
    2-ethylhexyl acetate 350.8
    1,2,4-trichlorobenzene 394.48
    4-methylpyridine 778.9
    dibutyl ether 309.33
    2,6-dimethyl-4-heptanol 225.38
    DEF 442.21
    dimethyl isosorbide 461.07
    tetrachloroethylene 740.03
    eugenol 307.86
    triacetin 309.79
    span 80 434.71
    1,4-butanediol 391.56
    1,1-dichloroethane 814.11
    2-methyl-1-pentanol 588.72
    methyl formate 302.5
    2-methyl-1-butanol 753.75
    n-decane 58.3
    butyronitrile 722.92
    3,7-dimethyl-1-octanol 347.26
    1-chlorooctane 189.11
    1-chlorotetradecane 79.53
    n-nonane 59.04
    undecane 43.36
    tert-butylcyclohexane 95.67
    cyclooctane 68.84
    cyclopentanol 878.6
    tetrahydropyran 1174.29
    tert-amyl methyl ether 488.88
    2,5,8-trioxanonane 552.84
    1-hexene 508.69
    2-isopropoxyethanol 440.76
    2,2,2-trifluoroethanol 248.67
    methyl butyrate 323.6

    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