2-Methylpentyl isobutyrate

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  • Identifiers

    CAS number
    84254-82-0

    Molecular formula
    C10H20O2

    SMILES
    CCCC(C)COC(=O)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 95.84%
    Sweet 65.01%
    Apple 63.48%
    Tropical 54.77%
    Pineapple 48.47%
    Banana 46.55%
    Green 45.14%
    Fatty 42.87%
    Oily 41.71%
    Pear 41.26%

     

    Flavor
    Fruity 81.05%
    Green 68.29%
    Apple 53.11%
    Tropical 50.42%
    Sweet 49.22%
    Berry 39.23%
    Pineapple 39.21%
    Waxy 31.98%
    Pear 31.76%
    Banana 30.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.3 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point

    • 65.13 ˚C est.

  • Synonyms

    • 2-Methylpentyl isobutyrate
    • 2-methylpentyl 2-methylpropanoate
    • QS4V5L364K
    • EINECS 282-527-8
    • VXQWSPZASJTSMH-UHFFFAOYSA-
    • DTXSID801004510
    • Propanoic acid, 2-methyl-, 2-methylpentyl ester
    • RefChem:88361
    • DTXCID501431409
    • 282-527-8
    • InChI=1/C10H20O2/c1-5-6-9(4)7-12-10(11)8(2)3/h8-9H,5-7H2,1-4H3
    • 84254-82-0
    • UNII-QS4V5L364K
    • SCHEMBL28515824
    • NS00059694
    • 84254-82-0

  • Applications

    2-Methylpentyl isobutyrate, CAS 84254-82-0, is commonly used in perfumery as an odorant and fragrance fixative to impart fruity notes; in cosmetics and personal care it serves as a fragrance ingredient; in household and cleaning products it functions as a fragrance component and aroma enhancer; in industrial manufacturing it can be employed as a solvent or processing aid in specialty coatings, paints, and inks; and it may be evaluated for additional applications as a fragrance constituent and processing solvent in plastics and polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6012.72
    methanol 6535.6
    isopropanol 4464.81
    water 2.36
    ethyl acetate 3288.48
    n-propanol 4100.97
    acetone 3686.57
    n-butanol 4163.48
    acetonitrile 3503.18
    DMF 2613.47
    toluene 1576.08
    isobutanol 3429.34
    1,4-dioxane 4161.91
    methyl acetate 2344.65
    THF 4499.45
    2-butanone 3110.12
    n-pentanol 3322.73
    sec-butanol 4250.1
    n-hexane 1289.16
    ethylene glycol 423.13
    NMP 2162.49
    cyclohexane 1240.85
    DMSO 2104.63
    n-butyl acetate 5167.14
    n-octanol 1774.54
    chloroform 7996.4
    n-propyl acetate 2787.18
    acetic acid 3796.51
    dichloromethane 5940.06
    cyclohexanone 4477.92
    propylene glycol 736.86
    isopropyl acetate 2409.51
    DMAc 2134.75
    2-ethoxyethanol 2533.48
    isopentanol 4114.25
    n-heptane 630.9
    ethyl formate 2608.98
    1,2-dichloroethane 3441.06
    n-hexanol 4154.51
    2-methoxyethanol 3401.07
    isobutyl acetate 1826.54
    tetrachloromethane 1790.9
    n-pentyl acetate 2332.45
    transcutol 6441.39
    n-heptanol 1855.43
    ethylbenzene 1268.51
    MIBK 1891.02
    2-propoxyethanol 3674.56
    tert-butanol 4976.59
    MTBE 4624.83
    2-butoxyethanol 2325.31
    propionic acid 2127.36
    o-xylene 1055.71
    formic acid 1088.61
    diethyl ether 3550.0
    m-xylene 1099.5
    p-xylene 1849.12
    chlorobenzene 2324.92
    dimethyl carbonate 480.41
    n-octane 284.4
    formamide 1168.18
    cyclopentanone 3179.81
    2-pentanone 2965.73
    anisole 1816.46
    cyclopentyl methyl ether 2397.62
    gamma-butyrolactone 3120.18
    1-methoxy-2-propanol 2312.82
    pyridine 3659.62
    3-pentanone 1618.66
    furfural 3190.04
    n-dodecane 171.08
    diethylene glycol 1566.18
    diisopropyl ether 1309.24
    tert-amyl alcohol 4679.98
    acetylacetone 2195.51
    n-hexadecane 193.79
    acetophenone 1626.75
    methyl propionate 1623.47
    isopentyl acetate 4501.39
    trichloroethylene 6544.54
    n-nonanol 1409.91
    cyclohexanol 3396.43
    benzyl alcohol 1612.11
    2-ethylhexanol 2782.93
    isooctanol 1569.49
    dipropyl ether 2148.45
    1,2-dichlorobenzene 1886.42
    ethyl lactate 786.46
    propylene carbonate 2344.8
    n-methylformamide 1747.39
    2-pentanol 3284.33
    n-pentane 821.74
    1-propoxy-2-propanol 3082.77
    1-methoxy-2-propyl acetate 2198.48
    2-(2-methoxypropoxy) propanol 1460.66
    mesitylene 724.01
    ε-caprolactone 3880.95
    p-cymene 914.91
    epichlorohydrin 3991.05
    1,1,1-trichloroethane 4368.98
    2-aminoethanol 1262.39
    morpholine-4-carbaldehyde 2600.61
    sulfolane 2466.09
    2,2,4-trimethylpentane 466.37
    2-methyltetrahydrofuran 4432.88
    n-hexyl acetate 2938.79
    isooctane 361.36
    2-(2-butoxyethoxy)ethanol 2094.54
    sec-butyl acetate 2010.25
    tert-butyl acetate 2252.22
    decalin 602.69
    glycerin 754.98
    diglyme 3660.8
    acrylic acid 1493.65
    isopropyl myristate 891.72
    n-butyric acid 4597.58
    acetyl acetate 1631.34
    di(2-ethylhexyl) phthalate 754.06
    ethyl propionate 1825.83
    nitromethane 3662.83
    1,2-diethoxyethane 3164.93
    benzonitrile 2671.93
    trioctyl phosphate 601.31
    1-bromopropane 2999.43
    gamma-valerolactone 4178.86
    n-decanol 931.66
    triethyl phosphate 742.33
    4-methyl-2-pentanol 1765.26
    propionitrile 2842.51
    vinylene carbonate 2169.04
    1,1,2-trichlorotrifluoroethane 2674.7
    DMS 1110.76
    cumene 896.78
    2-octanol 1466.98
    2-hexanone 2909.21
    octyl acetate 1161.21
    limonene 1483.97
    1,2-dimethoxyethane 4332.64
    ethyl orthosilicate 842.93
    tributyl phosphate 778.62
    diacetone alcohol 1938.89
    N,N-dimethylaniline 1202.92
    acrylonitrile 2612.9
    aniline 1701.55
    1,3-propanediol 2257.03
    bromobenzene 2539.37
    dibromomethane 4518.68
    1,1,2,2-tetrachloroethane 5322.57
    2-methyl-cyclohexyl acetate 1660.54
    tetrabutyl urea 856.19
    diisobutyl methanol 1237.54
    2-phenylethanol 1872.51
    styrene 1531.65
    dioctyl adipate 1121.11
    dimethyl sulfate 582.62
    ethyl butyrate 2455.56
    methyl lactate 648.6
    butyl lactate 1470.81
    diethyl carbonate 1385.79
    propanediol butyl ether 1807.61
    triethyl orthoformate 1541.5
    p-tert-butyltoluene 839.8
    methyl 4-tert-butylbenzoate 1228.06
    morpholine 5000.06
    tert-butylamine 3908.75
    n-dodecanol 657.01
    dimethoxymethane 1608.65
    ethylene carbonate 1936.15
    cyrene 981.85
    2-ethoxyethyl acetate 2148.63
    2-ethylhexyl acetate 3366.84
    1,2,4-trichlorobenzene 2002.23
    4-methylpyridine 4232.01
    dibutyl ether 2220.21
    2,6-dimethyl-4-heptanol 1237.54
    DEF 2805.14
    dimethyl isosorbide 1900.74
    tetrachloroethylene 3876.72
    eugenol 1287.88
    triacetin 1451.44
    span 80 1521.9
    1,4-butanediol 1097.85
    1,1-dichloroethane 4501.36
    2-methyl-1-pentanol 3276.57
    methyl formate 1275.07
    2-methyl-1-butanol 3656.53
    n-decane 344.24
    butyronitrile 4288.81
    3,7-dimethyl-1-octanol 1787.29
    1-chlorooctane 1222.39
    1-chlorotetradecane 405.08
    n-nonane 371.12
    undecane 227.2
    tert-butylcyclohexane 623.21
    cyclooctane 361.82
    cyclopentanol 2697.4
    tetrahydropyran 5098.61
    tert-amyl methyl ether 3126.9
    2,5,8-trioxanonane 1957.9
    1-hexene 3166.4
    2-isopropoxyethanol 2002.18
    2,2,2-trifluoroethanol 791.68
    methyl butyrate 3140.26

    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