4-Methylpentyl isobutyrate

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  • Identifiers

    CAS number
    35852-44-9

    Molecular formula
    C10H20O2

    SMILES
    CC(C)CCCOC(=O)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 96.85%
    Apple 67.7%
    Sweet 64.48%
    Banana 51.28%
    Pineapple 49.66%
    Tropical 49.57%
    Herbal 44.12%
    Green 43.18%
    Pear 40.82%
    Oily 39.29%

     

    Flavor
    Fruity 79.7%
    Green 65.58%
    Apple 56.16%
    Tropical 51.87%
    Sweet 47.2%
    Pineapple 43.66%
    Berry 35.67%
    Banana 35.35%
    Pear 34.9%
    Waxy 32.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.66 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    190°C

    Flash point

    • 68.52 ˚C est.

  • Synonyms

    • 4-Methylpentyl isobutyrate
    • 1PCS2LK3IM
    • UNII-1PCS2LK3IM
    • EINECS 252-759-4
    • ISOHEXYL ISOBUTYRATE
    • DTXSID60189401
    • 4-METHYL-1-PENTYL ISOBUTYRATE
    • RefChem:99920
    • DTXCID50111892
    • 252-759-4
    • 4-methylpentyl 2-methylpropanoate
    • 35852-44-9
    • SCHEMBL4675867
    • SCHEMBL4675873
    • AKOS006238548
    • DB-283787
    • NS00029934
    • Propanoic acid, 2-methyl-, 4-methylpentyl ester
    • 35852-44-9

  • Applications

    4-Methylpentyl isobutyrate (CAS 35852-44-9) is used primarily as a fragrance ingredient and solvent in a range of industrial and consumer formulations. In perfumery/fragrance, it commonly serves as an aroma component or a light fixing agent. In cosmetics and personal care, it is often employed as a fragrance and co-solvent in products such as perfumes and moisturizers. In the food sector, it may be considered for flavoring applications in formulations, subject to regulatory approvals. In household and cleaning products, it can act as a fragrance ingredient and solvent for cleaning solutions. In manufacturing, coatings/inks, it can be used as a solvent or additive for plastics and coatings, and may function as a plasticizer in certain polymer systems. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3460.54
    methanol 3712.03
    isopropanol 3022.24
    water 1.23
    ethyl acetate 2768.31
    n-propanol 2553.62
    acetone 3381.57
    n-butanol 2723.04
    acetonitrile 2460.58
    DMF 2523.24
    toluene 1133.32
    isobutanol 2447.86
    1,4-dioxane 2942.84
    methyl acetate 2004.68
    THF 3546.7
    2-butanone 2581.54
    n-pentanol 2068.48
    sec-butanol 2921.53
    n-hexane 1322.63
    ethylene glycol 343.62
    NMP 2103.11
    cyclohexane 943.78
    DMSO 2077.27
    n-butyl acetate 3680.13
    n-octanol 1280.39
    chloroform 5872.85
    n-propyl acetate 2144.04
    acetic acid 2772.45
    dichloromethane 4136.0
    cyclohexanone 3415.53
    propylene glycol 629.54
    isopropyl acetate 2133.95
    DMAc 2115.6
    2-ethoxyethanol 2020.73
    isopentanol 3028.27
    n-heptane 410.7
    ethyl formate 1653.49
    1,2-dichloroethane 2988.68
    n-hexanol 2738.51
    2-methoxyethanol 2629.1
    isobutyl acetate 1435.16
    tetrachloromethane 1507.68
    n-pentyl acetate 1753.38
    transcutol 6192.38
    n-heptanol 1198.98
    ethylbenzene 975.52
    MIBK 1741.1
    2-propoxyethanol 2906.14
    tert-butanol 4107.42
    MTBE 4323.1
    2-butoxyethanol 1734.68
    propionic acid 1771.73
    o-xylene 906.92
    formic acid 760.75
    diethyl ether 2916.47
    m-xylene 943.56
    p-xylene 1390.94
    chlorobenzene 1793.24
    dimethyl carbonate 475.24
    n-octane 194.4
    formamide 857.12
    cyclopentanone 2831.89
    2-pentanone 2436.21
    anisole 1452.3
    cyclopentyl methyl ether 2226.45
    gamma-butyrolactone 2721.08
    1-methoxy-2-propanol 2099.6
    pyridine 2273.02
    3-pentanone 1558.81
    furfural 2489.43
    n-dodecane 114.85
    diethylene glycol 1400.91
    diisopropyl ether 1201.85
    tert-amyl alcohol 3948.33
    acetylacetone 2036.46
    n-hexadecane 133.47
    acetophenone 1323.33
    methyl propionate 1519.74
    isopentyl acetate 3261.33
    trichloroethylene 5610.94
    n-nonanol 1047.75
    cyclohexanol 2465.66
    benzyl alcohol 1116.15
    2-ethylhexanol 1811.49
    isooctanol 1100.13
    dipropyl ether 1707.77
    1,2-dichlorobenzene 1673.22
    ethyl lactate 708.99
    propylene carbonate 1866.72
    n-methylformamide 1418.52
    2-pentanol 2381.54
    n-pentane 668.68
    1-propoxy-2-propanol 2422.42
    1-methoxy-2-propyl acetate 2025.17
    2-(2-methoxypropoxy) propanol 1328.52
    mesitylene 663.38
    ε-caprolactone 2931.64
    p-cymene 673.22
    epichlorohydrin 3238.88
    1,1,1-trichloroethane 4142.86
    2-aminoethanol 979.57
    morpholine-4-carbaldehyde 2392.58
    sulfolane 2642.33
    2,2,4-trimethylpentane 402.86
    2-methyltetrahydrofuran 3504.48
    n-hexyl acetate 2377.78
    isooctane 305.98
    2-(2-butoxyethoxy)ethanol 1952.89
    sec-butyl acetate 1718.59
    tert-butyl acetate 2229.54
    decalin 513.12
    glycerin 690.61
    diglyme 3059.13
    acrylic acid 1287.5
    isopropyl myristate 754.35
    n-butyric acid 3192.2
    acetyl acetate 1516.32
    di(2-ethylhexyl) phthalate 631.96
    ethyl propionate 1562.21
    nitromethane 2983.66
    1,2-diethoxyethane 2727.94
    benzonitrile 1768.38
    trioctyl phosphate 509.04
    1-bromopropane 2517.84
    gamma-valerolactone 3355.82
    n-decanol 707.38
    triethyl phosphate 609.1
    4-methyl-2-pentanol 1435.59
    propionitrile 2017.08
    vinylene carbonate 1656.95
    1,1,2-trichlorotrifluoroethane 2471.4
    DMS 1137.47
    cumene 717.72
    2-octanol 1019.12
    2-hexanone 2130.55
    octyl acetate 956.97
    limonene 1109.61
    1,2-dimethoxyethane 3190.31
    ethyl orthosilicate 715.37
    tributyl phosphate 721.37
    diacetone alcohol 1954.56
    N,N-dimethylaniline 1007.82
    acrylonitrile 1912.37
    aniline 1291.94
    1,3-propanediol 1617.35
    bromobenzene 1967.33
    dibromomethane 3457.21
    1,1,2,2-tetrachloroethane 5079.05
    2-methyl-cyclohexyl acetate 1337.66
    tetrabutyl urea 761.23
    diisobutyl methanol 973.45
    2-phenylethanol 1326.71
    styrene 1133.45
    dioctyl adipate 918.4
    dimethyl sulfate 716.93
    ethyl butyrate 1810.9
    methyl lactate 656.49
    butyl lactate 1250.09
    diethyl carbonate 1044.85
    propanediol butyl ether 1589.06
    triethyl orthoformate 1175.95
    p-tert-butyltoluene 647.91
    methyl 4-tert-butylbenzoate 1069.12
    morpholine 3456.99
    tert-butylamine 3079.24
    n-dodecanol 500.02
    dimethoxymethane 1462.38
    ethylene carbonate 1483.8
    cyrene 880.2
    2-ethoxyethyl acetate 1836.73
    2-ethylhexyl acetate 2519.41
    1,2,4-trichlorobenzene 1812.71
    4-methylpyridine 2908.82
    dibutyl ether 1783.99
    2,6-dimethyl-4-heptanol 973.45
    DEF 2448.42
    dimethyl isosorbide 1776.19
    tetrachloroethylene 3395.2
    eugenol 1110.8
    triacetin 1366.09
    span 80 1337.04
    1,4-butanediol 818.68
    1,1-dichloroethane 3876.49
    2-methyl-1-pentanol 2299.26
    methyl formate 1070.51
    2-methyl-1-butanol 2706.98
    n-decane 237.81
    butyronitrile 2904.16
    3,7-dimethyl-1-octanol 1439.42
    1-chlorooctane 965.11
    1-chlorotetradecane 312.5
    n-nonane 254.46
    undecane 157.12
    tert-butylcyclohexane 545.28
    cyclooctane 299.35
    cyclopentanol 2026.32
    tetrahydropyran 3650.14
    tert-amyl methyl ether 2954.85
    2,5,8-trioxanonane 1782.76
    1-hexene 2733.74
    2-isopropoxyethanol 1698.14
    2,2,2-trifluoroethanol 769.0
    methyl butyrate 2388.25

    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