Butyl 2-methylpentanoate

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  • Identifiers

    CAS number
    6297-41-2

    Molecular formula
    C10H20O2

    SMILES
    CCCCOC(=O)C(C)CCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 94.52%
    Apple 67.93%
    Herbal 52.85%
    Fatty 51.99%
    Winey 49.92%
    Oily 49.91%
    Green 47.87%
    Floral 43.07%
    Waxy 41.83%
    Pineapple 40.82%

     

    Flavor
    Fruity 92.77%
    Green 78.58%
    Apple 68.68%
    Sweet 63.07%
    Tropical 54.74%
    Pineapple 53.06%
    Berry 47.56%
    Pear 45.26%
    Waxy 37.94%
    Banana 36.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.39 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    193°C

    Flash point

    • 72.07 ˚C est.

  • Synonyms

    • Butyl 2-methylvalerate
    • Butyl 2-methylpentanoate
    • 6297-41-2
    • Pentanoic acid, 2-methyl-, butyl ester
    • BUTYL-2-METHYLVALERATE
    • Valeric acid, 2-methyl-, butyl ester
    • UNII-Q63U45E21J
    • Q63U45E21J
    • 2-Methylpentanoic acid, butyl ester
    • EINECS 228-569-2
    • NSC 17885
    • NSC-17885
    • FMVUGLMJUHFPSJ-UHFFFAOYSA-
    • DTXSID70863740
    • chamomile valerate
    • 2-Methylvaleric Acid Butyl Ester
    • MFCD00672753
    • Butyl2-methylpentanoate
    • Butyl 2-methylpentanoate #
    • SCHEMBL1471817
    • DTXCID70812319
    • 2-Methylpentanoic Acid Butyl Ester
    • NSC17885
    • AKOS006239993
    • DB-243180
    • B3359
    • NS00012046
    • Q27287042

  • Applications

    Butyl 2-methylpentanoate (CAS 6297-41-2) is an ester commonly used as a fragrance ingredient with fruity and warm notes, and may be used as a flavor ingredient in select food-relevant applications. It is often evaluated for cosmetics and personal care products as a fragrance component or processing aid, contributing to scent profiles and formulation flexibility. In household products, it can function as an odorant additive in cleaners, air fresheners, and detergents. In coatings and inks, it may act as a solvent or processing aid to improve compatibility and film formation. In certain polymer systems, it may serve as a processing aid or plasticizer to influence processing characteristics and aroma release. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10706.3
    methanol 11545.31
    isopropanol 9408.66
    water 2.02
    ethyl acetate 7085.39
    n-propanol 8399.86
    acetone 9587.7
    n-butanol 8035.34
    acetonitrile 8498.24
    DMF 6938.56
    toluene 3108.08
    isobutanol 7438.49
    1,4-dioxane 8938.41
    methyl acetate 5231.85
    THF 8541.58
    2-butanone 6958.89
    n-pentanol 5691.51
    sec-butanol 8442.11
    n-hexane 2565.83
    ethylene glycol 702.63
    NMP 5185.08
    cyclohexane 3508.93
    DMSO 4945.92
    n-butyl acetate 8642.98
    n-octanol 2962.27
    chloroform 17882.54
    n-propyl acetate 5260.79
    acetic acid 7515.87
    dichloromethane 13873.24
    cyclohexanone 10667.38
    propylene glycol 1266.41
    isopropyl acetate 4672.66
    DMAc 4595.6
    2-ethoxyethanol 4262.29
    isopentanol 7572.18
    n-heptane 1074.89
    ethyl formate 5128.77
    1,2-dichloroethane 9219.5
    n-hexanol 6605.78
    2-methoxyethanol 6102.13
    isobutyl acetate 3166.04
    tetrachloromethane 3472.33
    n-pentyl acetate 4444.42
    transcutol 9944.72
    n-heptanol 2769.77
    ethylbenzene 2164.15
    MIBK 3551.61
    2-propoxyethanol 5734.71
    tert-butanol 9812.11
    MTBE 9281.74
    2-butoxyethanol 3451.6
    propionic acid 4761.02
    o-xylene 1848.17
    formic acid 1616.5
    diethyl ether 8460.94
    m-xylene 1825.09
    p-xylene 3158.15
    chlorobenzene 5590.03
    dimethyl carbonate 1075.23
    n-octane 511.11
    formamide 2067.61
    cyclopentanone 7412.36
    2-pentanone 6143.43
    anisole 3263.9
    cyclopentyl methyl ether 4849.88
    gamma-butyrolactone 7293.06
    1-methoxy-2-propanol 4174.03
    pyridine 9561.9
    3-pentanone 3797.37
    furfural 6265.53
    n-dodecane 309.17
    diethylene glycol 2453.13
    diisopropyl ether 2399.6
    tert-amyl alcohol 8835.73
    acetylacetone 4442.15
    n-hexadecane 363.01
    acetophenone 2914.8
    methyl propionate 3546.86
    isopentyl acetate 7280.46
    trichloroethylene 15849.68
    n-nonanol 2366.46
    cyclohexanol 7766.07
    benzyl alcohol 2776.28
    2-ethylhexanol 4058.14
    isooctanol 2329.09
    dipropyl ether 3770.43
    1,2-dichlorobenzene 4170.08
    ethyl lactate 1255.98
    propylene carbonate 4480.81
    n-methylformamide 4388.38
    2-pentanol 6354.51
    n-pentane 1713.76
    1-propoxy-2-propanol 4625.0
    1-methoxy-2-propyl acetate 3370.99
    2-(2-methoxypropoxy) propanol 2041.64
    mesitylene 1264.66
    ε-caprolactone 8508.96
    p-cymene 1361.62
    epichlorohydrin 9043.99
    1,1,1-trichloroethane 10068.34
    2-aminoethanol 2148.3
    morpholine-4-carbaldehyde 5019.81
    sulfolane 5727.15
    2,2,4-trimethylpentane 735.05
    2-methyltetrahydrofuran 8771.57
    n-hexyl acetate 5255.14
    isooctane 556.7
    2-(2-butoxyethoxy)ethanol 3094.66
    sec-butyl acetate 3478.63
    tert-butyl acetate 3881.04
    decalin 1119.27
    glycerin 1259.4
    diglyme 5808.51
    acrylic acid 3369.37
    isopropyl myristate 1563.71
    n-butyric acid 9375.17
    acetyl acetate 3488.26
    di(2-ethylhexyl) phthalate 1146.51
    ethyl propionate 3535.69
    nitromethane 8216.47
    1,2-diethoxyethane 5440.36
    benzonitrile 5703.09
    trioctyl phosphate 928.55
    1-bromopropane 7275.82
    gamma-valerolactone 8641.35
    n-decanol 1544.68
    triethyl phosphate 1199.51
    4-methyl-2-pentanol 2881.05
    propionitrile 7497.1
    vinylene carbonate 4369.27
    1,1,2-trichlorotrifluoroethane 5234.76
    DMS 2104.61
    cumene 1442.38
    2-octanol 2322.39
    2-hexanone 5160.62
    octyl acetate 1966.71
    limonene 2346.85
    1,2-dimethoxyethane 8345.49
    ethyl orthosilicate 1289.35
    tributyl phosphate 1269.12
    diacetone alcohol 3166.78
    N,N-dimethylaniline 2019.38
    acrylonitrile 6736.08
    aniline 3640.32
    1,3-propanediol 3874.16
    bromobenzene 6137.25
    dibromomethane 10445.31
    1,1,2,2-tetrachloroethane 12766.51
    2-methyl-cyclohexyl acetate 2487.86
    tetrabutyl urea 1478.17
    diisobutyl methanol 1883.31
    2-phenylethanol 2958.1
    styrene 2950.04
    dioctyl adipate 1825.16
    dimethyl sulfate 1270.75
    ethyl butyrate 3944.43
    methyl lactate 1213.11
    butyl lactate 2406.27
    diethyl carbonate 2257.69
    propanediol butyl ether 2692.93
    triethyl orthoformate 2311.11
    p-tert-butyltoluene 1252.49
    methyl 4-tert-butylbenzoate 2002.38
    morpholine 11070.55
    tert-butylamine 7515.16
    n-dodecanol 1081.48
    dimethoxymethane 3456.95
    ethylene carbonate 4298.76
    cyrene 1411.99
    2-ethoxyethyl acetate 3597.55
    2-ethylhexyl acetate 5286.98
    1,2,4-trichlorobenzene 4074.34
    4-methylpyridine 9554.5
    dibutyl ether 4233.42
    2,6-dimethyl-4-heptanol 1883.31
    DEF 6111.23
    dimethyl isosorbide 2847.6
    tetrachloroethylene 8872.1
    eugenol 2002.45
    triacetin 2360.31
    span 80 2250.22
    1,4-butanediol 1726.32
    1,1-dichloroethane 11582.78
    2-methyl-1-pentanol 5474.58
    methyl formate 3013.0
    2-methyl-1-butanol 7099.61
    n-decane 642.41
    butyronitrile 10048.96
    3,7-dimethyl-1-octanol 2801.88
    1-chlorooctane 2280.61
    1-chlorotetradecane 714.44
    n-nonane 711.74
    undecane 419.52
    tert-butylcyclohexane 1026.98
    cyclooctane 795.43
    cyclopentanol 6059.19
    tetrahydropyran 12322.95
    tert-amyl methyl ether 5454.97
    2,5,8-trioxanonane 3023.14
    1-hexene 6314.7
    2-isopropoxyethanol 3177.7
    2,2,2-trifluoroethanol 1567.68
    methyl butyrate 6165.84

    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