1-Methylethyl 4-methylpentanoate

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  • Identifiers

    CAS number
    25415-69-4

    Molecular formula
    C9H18O2

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

  • Odor profile

    Fragrance
    Fruity 96.2%
    Apple 67.5%
    Pineapple 50.06%
    Banana 44.33%
    Winey 40.7%
    Sweet 39.26%
    Cheesy 37.56%
    Herbal 37.02%
    Ethereal 34.9%
    Ripe 33.47%

     

    Flavor
    Fruity 79.48%
    Pineapple 53.51%
    Tropical 47.17%
    Green 44.88%
    Sweet 40.91%
    Apple 39.21%
    Banana 39.11%
    Ripe 35.01%
    Berry 31.55%
    Herbal 30.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.47 (weak base)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    169°C

    Flash point

    • 56.49 ˚C est.

  • Synonyms

    • Pentanoic acid, 4-methyl, 1-methylethyl ester
    • 1-Methylethyl 4-methylpentanoate
    • 25415-69-4
    • SCHEMBL131802
    • DTXSID901301747
    • AKOS008952609

  • Applications

    1-Methylethyl 4-methylpentanoate (CAS 25415-69-4) is primarily used as a fragrance ingredient in perfumery and personal care products, providing fruity, tropical, or green notes depending on the formulation; it is also commonly evaluated for use as a flavor/aroma additive in foods and beverages. Additionally, it can serve as a solvent or processing aid in coatings, inks, and cleaning formulations, and may be employed as an intermediate in the synthesis of other aroma compounds used by the fragrance and flavor industries. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1851.33
    methanol 2286.58
    isopropanol 1838.56
    water 8.71
    ethyl acetate 546.27
    n-propanol 1460.88
    acetone 949.22
    n-butanol 1353.31
    acetonitrile 571.12
    DMF 1216.86
    toluene 393.17
    isobutanol 1235.12
    1,4-dioxane 1422.72
    methyl acetate 578.72
    THF 1768.23
    2-butanone 722.78
    n-pentanol 915.82
    sec-butanol 1483.95
    n-hexane 510.27
    ethylene glycol 423.4
    NMP 1056.71
    cyclohexane 518.06
    DMSO 724.6
    n-butyl acetate 660.98
    n-octanol 569.42
    chloroform 2369.4
    n-propyl acetate 345.32
    acetic acid 1558.37
    dichloromethane 1204.12
    cyclohexanone 1199.79
    propylene glycol 682.19
    isopropyl acetate 447.23
    DMAc 1183.61
    2-ethoxyethanol 743.01
    isopentanol 1158.9
    n-heptane 178.93
    ethyl formate 442.65
    1,2-dichloroethane 718.4
    n-hexanol 1366.11
    2-methoxyethanol 1297.41
    isobutyl acetate 303.52
    tetrachloromethane 470.24
    n-pentyl acetate 393.27
    transcutol 1515.14
    n-heptanol 480.03
    ethylbenzene 281.82
    MIBK 432.11
    2-propoxyethanol 1284.36
    tert-butanol 1971.82
    MTBE 1240.25
    2-butoxyethanol 622.2
    propionic acid 916.53
    o-xylene 287.37
    formic acid 499.99
    diethyl ether 788.73
    m-xylene 302.79
    p-xylene 389.88
    chlorobenzene 509.38
    dimethyl carbonate 169.39
    n-octane 77.94
    formamide 338.31
    cyclopentanone 1007.87
    2-pentanone 581.56
    anisole 402.73
    cyclopentyl methyl ether 785.74
    gamma-butyrolactone 976.47
    1-methoxy-2-propanol 1038.68
    pyridine 806.02
    3-pentanone 417.62
    furfural 822.8
    n-dodecane 65.3
    diethylene glycol 816.0
    diisopropyl ether 302.61
    tert-amyl alcohol 1549.77
    acetylacetone 536.17
    n-hexadecane 71.28
    acetophenone 358.18
    methyl propionate 398.99
    isopentyl acetate 636.38
    trichloroethylene 1308.94
    n-nonanol 471.14
    cyclohexanol 1256.99
    benzyl alcohol 441.87
    2-ethylhexanol 624.21
    isooctanol 356.37
    dipropyl ether 471.15
    1,2-dichlorobenzene 435.38
    ethyl lactate 244.27
    propylene carbonate 625.25
    n-methylformamide 569.83
    2-pentanol 983.86
    n-pentane 335.8
    1-propoxy-2-propanol 896.39
    1-methoxy-2-propyl acetate 494.45
    2-(2-methoxypropoxy) propanol 532.09
    mesitylene 221.29
    ε-caprolactone 959.2
    p-cymene 191.46
    epichlorohydrin 919.77
    1,1,1-trichloroethane 985.79
    2-aminoethanol 783.93
    morpholine-4-carbaldehyde 1074.19
    sulfolane 909.43
    2,2,4-trimethylpentane 157.08
    2-methyltetrahydrofuran 1357.06
    n-hexyl acetate 684.55
    isooctane 109.24
    2-(2-butoxyethoxy)ethanol 733.79
    sec-butyl acetate 327.87
    tert-butyl acetate 517.51
    decalin 186.45
    glycerin 698.86
    diglyme 996.84
    acrylic acid 703.93
    isopropyl myristate 259.66
    n-butyric acid 1243.04
    acetyl acetate 384.79
    di(2-ethylhexyl) phthalate 270.3
    ethyl propionate 300.92
    nitromethane 970.69
    1,2-diethoxyethane 588.92
    benzonitrile 495.59
    trioctyl phosphate 200.79
    1-bromopropane 694.73
    gamma-valerolactone 1239.5
    n-decanol 332.97
    triethyl phosphate 190.43
    4-methyl-2-pentanol 552.5
    propionitrile 563.39
    vinylene carbonate 533.45
    1,1,2-trichlorotrifluoroethane 976.73
    DMS 350.85
    cumene 215.07
    2-octanol 375.05
    2-hexanone 480.1
    octyl acetate 334.74
    limonene 324.07
    1,2-dimethoxyethane 1188.23
    ethyl orthosilicate 214.97
    tributyl phosphate 241.96
    diacetone alcohol 627.3
    N,N-dimethylaniline 327.3
    acrylonitrile 522.82
    aniline 502.38
    1,3-propanediol 1042.88
    bromobenzene 481.45
    dibromomethane 976.78
    1,1,2,2-tetrachloroethane 1460.08
    2-methyl-cyclohexyl acetate 362.38
    tetrabutyl urea 294.43
    diisobutyl methanol 326.71
    2-phenylethanol 515.87
    styrene 319.55
    dioctyl adipate 312.46
    dimethyl sulfate 250.34
    ethyl butyrate 337.19
    methyl lactate 299.3
    butyl lactate 362.6
    diethyl carbonate 234.48
    propanediol butyl ether 676.95
    triethyl orthoformate 304.84
    p-tert-butyltoluene 196.32
    methyl 4-tert-butylbenzoate 371.55
    morpholine 1628.09
    tert-butylamine 1346.32
    n-dodecanol 250.96
    dimethoxymethane 557.96
    ethylene carbonate 508.58
    cyrene 403.29
    2-ethoxyethyl acetate 411.66
    2-ethylhexyl acetate 490.98
    1,2,4-trichlorobenzene 516.31
    4-methylpyridine 846.42
    dibutyl ether 486.84
    2,6-dimethyl-4-heptanol 326.71
    DEF 644.81
    dimethyl isosorbide 638.53
    tetrachloroethylene 990.89
    eugenol 399.08
    triacetin 454.95
    span 80 594.68
    1,4-butanediol 463.55
    1,1-dichloroethane 1027.37
    2-methyl-1-pentanol 789.43
    methyl formate 411.34
    2-methyl-1-butanol 1084.17
    n-decane 110.8
    butyronitrile 752.0
    3,7-dimethyl-1-octanol 517.04
    1-chlorooctane 320.82
    1-chlorotetradecane 134.11
    n-nonane 115.6
    undecane 81.45
    tert-butylcyclohexane 190.13
    cyclooctane 147.19
    cyclopentanol 1222.99
    tetrahydropyran 1530.3
    tert-amyl methyl ether 815.9
    2,5,8-trioxanonane 669.97
    1-hexene 847.92
    2-isopropoxyethanol 555.65
    2,2,2-trifluoroethanol 435.01
    methyl butyrate 442.65

    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