2-Ethylhexyl isobutyrate

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  • Identifiers

    CAS number
    35061-61-1

    Molecular formula
    C12H24O2

    SMILES
    CCCCC(CC)COC(=O)C(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 88.21%
    Oily 57.24%
    Herbal 55.87%
    Fatty 54.9%
    Apple 40.68%
    Sweet 38.13%
    Winey 36.68%
    Waxy 35.9%
    Floral 31.31%
    Woody 30.92%

     

    Flavor
    Fruity 82.95%
    Green 76.22%
    Waxy 53.68%
    Sweet 49.12%
    Apple 47.34%
    Tropical 45.97%
    Floral 44.97%
    Oily 40.23%
    Berry 34.83%
    Pear 34.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.4 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 85.67 ˚C est.

  • Synonyms

    • 2-Ethylhexyl isobutyrate
    • 35061-61-1
    • Propanoic acid, 2-methyl-, 2-ethylhexyl ester
    • W41ITH657B
    • EINECS 252-341-1
    • AI3-21637
    • RefChem:471993
    • 252-341-1
    • 2-Ethylhexyl 2-methylpropanoate
    • UNII-W41ITH657B
    • Isobutyric acid, 2-ethylhexyl ester
    • SCHEMBL245036
    • DTXSID30956506
    • 2-Ethylhexyl 2-methylpropanoate #
    • NS00012408
    • Q27292270
    • 35061-61-1

  • Applications

    2-Ethylhexyl isobutyrate (CAS 35061-61-1) is commonly used as a plasticizer for PVC and other polymers, improving flexibility and processability; it also serves as a processing solvent or plasticizer in coatings and printing inks; in cosmetics and personal care, it functions as an emollient and solvent for formulation ingredients; in fragrance applications, it acts as a solvent/carrier for aromatic compounds; and it is used as a plasticizer or processing aid in adhesives and related industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12713.87
    methanol 11310.6
    isopropanol 11736.11
    water 1.03
    ethyl acetate 13706.41
    n-propanol 10114.69
    acetone 14156.62
    n-butanol 9924.95
    acetonitrile 10948.13
    DMF 7522.28
    toluene 4181.63
    isobutanol 9043.5
    1,4-dioxane 10921.9
    methyl acetate 8315.79
    THF 11395.48
    2-butanone 11037.19
    n-pentanol 6608.03
    sec-butanol 11004.69
    n-hexane 3162.91
    ethylene glycol 478.66
    NMP 5579.55
    cyclohexane 3881.13
    DMSO 5524.71
    n-butyl acetate 14119.05
    n-octanol 3440.47
    chloroform 18133.3
    n-propyl acetate 9514.27
    acetic acid 6737.76
    dichloromethane 15148.64
    cyclohexanone 14334.74
    propylene glycol 1117.13
    isopropyl acetate 9371.46
    DMAc 5581.65
    2-ethoxyethanol 5348.28
    isopentanol 9687.26
    n-heptane 1313.51
    ethyl formate 7356.07
    1,2-dichloroethane 10623.14
    n-hexanol 7759.89
    2-methoxyethanol 7330.85
    isobutyl acetate 5455.2
    tetrachloromethane 4087.06
    n-pentyl acetate 7015.38
    transcutol 13947.32
    n-heptanol 3517.78
    ethylbenzene 3007.21
    MIBK 6081.13
    2-propoxyethanol 7147.12
    tert-butanol 13314.06
    MTBE 16311.81
    2-butoxyethanol 4538.05
    propionic acid 5239.19
    o-xylene 2683.06
    formic acid 1231.2
    diethyl ether 13184.96
    m-xylene 2673.34
    p-xylene 4473.14
    chlorobenzene 6194.49
    dimethyl carbonate 1333.86
    n-octane 606.17
    formamide 1895.77
    cyclopentanone 9642.21
    2-pentanone 10507.28
    anisole 4269.74
    cyclopentyl methyl ether 7223.2
    gamma-butyrolactone 9006.88
    1-methoxy-2-propanol 5737.73
    pyridine 10611.34
    3-pentanone 5764.17
    furfural 7017.87
    n-dodecane 327.88
    diethylene glycol 2484.29
    diisopropyl ether 4447.76
    tert-amyl alcohol 12130.77
    acetylacetone 7586.55
    n-hexadecane 391.54
    acetophenone 3866.17
    methyl propionate 5955.22
    isopentyl acetate 12073.86
    trichloroethylene 18356.07
    n-nonanol 2734.73
    cyclohexanol 8817.7
    benzyl alcohol 3130.79
    2-ethylhexanol 5612.92
    isooctanol 3082.42
    dipropyl ether 6062.77
    1,2-dichlorobenzene 4800.92
    ethyl lactate 1786.41
    propylene carbonate 6293.02
    n-methylformamide 4472.76
    2-pentanol 8386.05
    n-pentane 2019.69
    1-propoxy-2-propanol 6621.0
    1-methoxy-2-propyl acetate 6056.65
    2-(2-methoxypropoxy) propanol 2598.33
    mesitylene 1770.95
    ε-caprolactone 11888.01
    p-cymene 1828.17
    epichlorohydrin 11157.49
    1,1,1-trichloroethane 13055.85
    2-aminoethanol 1930.7
    morpholine-4-carbaldehyde 6160.05
    sulfolane 6425.12
    2,2,4-trimethylpentane 1008.94
    2-methyltetrahydrofuran 12947.32
    n-hexyl acetate 7349.41
    isooctane 808.56
    2-(2-butoxyethoxy)ethanol 3976.14
    sec-butyl acetate 6876.16
    tert-butyl acetate 7553.91
    decalin 1418.09
    glycerin 1053.21
    diglyme 7775.41
    acrylic acid 3100.46
    isopropyl myristate 2072.79
    n-butyric acid 12563.25
    acetyl acetate 5670.32
    di(2-ethylhexyl) phthalate 1433.23
    ethyl propionate 6525.67
    nitromethane 9686.89
    1,2-diethoxyethane 8743.23
    benzonitrile 6159.68
    trioctyl phosphate 1156.26
    1-bromopropane 8962.77
    gamma-valerolactone 11893.61
    n-decanol 1736.27
    triethyl phosphate 1625.19
    4-methyl-2-pentanol 4151.32
    propionitrile 8922.61
    vinylene carbonate 5229.04
    1,1,2-trichlorotrifluoroethane 5612.59
    DMS 2918.94
    cumene 1971.33
    2-octanol 3019.66
    2-hexanone 8177.17
    octyl acetate 2506.63
    limonene 3257.17
    1,2-dimethoxyethane 10962.6
    ethyl orthosilicate 1796.19
    tributyl phosphate 1586.69
    diacetone alcohol 5176.12
    N,N-dimethylaniline 2640.28
    acrylonitrile 7420.76
    aniline 4431.21
    1,3-propanediol 4104.48
    bromobenzene 6938.84
    dibromomethane 11454.72
    1,1,2,2-tetrachloroethane 14507.76
    2-methyl-cyclohexyl acetate 3730.02
    tetrabutyl urea 1770.57
    diisobutyl methanol 2602.79
    2-phenylethanol 3527.65
    styrene 3713.49
    dioctyl adipate 2349.27
    dimethyl sulfate 1587.47
    ethyl butyrate 7369.63
    methyl lactate 1524.67
    butyl lactate 3342.91
    diethyl carbonate 3469.9
    propanediol butyl ether 3116.91
    triethyl orthoformate 3882.22
    p-tert-butyltoluene 1706.38
    methyl 4-tert-butylbenzoate 2645.52
    morpholine 13811.1
    tert-butylamine 10074.58
    n-dodecanol 1201.0
    dimethoxymethane 4693.35
    ethylene carbonate 5385.24
    cyrene 1784.27
    2-ethoxyethyl acetate 5852.3
    2-ethylhexyl acetate 8659.64
    1,2,4-trichlorobenzene 4998.01
    4-methylpyridine 11608.76
    dibutyl ether 5948.44
    2,6-dimethyl-4-heptanol 2602.79
    DEF 9584.56
    dimethyl isosorbide 3730.97
    tetrachloroethylene 9889.27
    eugenol 2428.95
    triacetin 3237.31
    span 80 2745.12
    1,4-butanediol 1727.01
    1,1-dichloroethane 14848.94
    2-methyl-1-pentanol 6581.19
    methyl formate 3000.85
    2-methyl-1-butanol 8874.82
    n-decane 709.48
    butyronitrile 12786.54
    3,7-dimethyl-1-octanol 3571.4
    1-chlorooctane 2795.58
    1-chlorotetradecane 827.52
    n-nonane 792.42
    undecane 453.21
    tert-butylcyclohexane 1338.9
    cyclooctane 951.1
    cyclopentanol 6758.89
    tetrahydropyran 16436.35
    tert-amyl methyl ether 9009.36
    2,5,8-trioxanonane 3755.97
    1-hexene 8075.66
    2-isopropoxyethanol 4387.17
    2,2,2-trifluoroethanol 1476.48
    methyl butyrate 10534.52

    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