2-Ethylhexyl isovalerate

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  • Identifiers

    CAS number
    71662-28-7

    Molecular formula
    C13H26O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 91.01%
    Herbal 63.3%
    Oily 53.15%
    Apple 47.66%
    Fatty 42.25%
    Winey 39.62%
    Sweet 36.08%
    Woody 31.44%
    Green 28.52%
    Fermented 26.61%

     

    Flavor
    Fruity 67.53%
    Green 64.22%
    Waxy 42.48%
    Oily 40.94%
    Herbal 38.89%
    Tropical 38.77%
    Sweet 37.29%
    Apple 35.44%
    Floral 35.24%
    Pineapple 28.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.83 (neutral)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 96.36 ˚C est.

  • Synonyms

    • 2-Ethylhexyl isovalerate
    • 2-ethylhexyl 3-methylbutanoate
    • 71662-28-7
    • EINECS 275-794-7
    • SCHEMBL20368911
    • DTXSID50992249
    • IZWXVMVETJYLIH-UHFFFAOYSA-N
    • NS00063070
    • 71662-28-7

  • Applications

    2-Ethylhexyl isovalerate is primarily valued in the fragrance industry as a fragrance ingredient and solvent, providing fruity/green notes and often acting as a fixative to extend fragrance longevity. It is commonly used in cosmetics and personal care products as a fragrance component and solvent to dissolve and blend aroma compounds in lotions, creams, and body care formulations. In household products, it serves as an odorant and fragrance additive in air fresheners, detergents, and cleaners, delivering pleasant scents. In industrial manufacturing, it may function as a specialty solvent or processing aid in coatings, inks, and adhesive formulations, helping to solubilize resinous ingredients and support formulation stability. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14010.35
    methanol 11399.49
    isopropanol 15425.19
    water 0.77
    ethyl acetate 11738.81
    n-propanol 11399.27
    acetone 18712.63
    n-butanol 10835.92
    acetonitrile 9950.3
    DMF 9835.38
    toluene 3288.65
    isobutanol 10331.77
    1,4-dioxane 10747.36
    methyl acetate 7147.61
    THF 15146.41
    2-butanone 11296.05
    n-pentanol 6256.24
    sec-butanol 11837.13
    n-hexane 3382.6
    ethylene glycol 803.46
    NMP 6569.14
    cyclohexane 4834.63
    DMSO 8034.47
    n-butyl acetate 10272.61
    n-octanol 3177.93
    chloroform 17412.4
    n-propyl acetate 6322.19
    acetic acid 8567.44
    dichloromethane 13742.99
    cyclohexanone 17208.65
    propylene glycol 1986.32
    isopropyl acetate 8104.13
    DMAc 5500.9
    2-ethoxyethanol 4500.44
    isopentanol 10319.49
    n-heptane 1292.75
    ethyl formate 5391.6
    1,2-dichloroethane 10467.03
    n-hexanol 7635.27
    2-methoxyethanol 7728.13
    isobutyl acetate 3820.33
    tetrachloromethane 3174.83
    n-pentyl acetate 4817.32
    transcutol 12140.36
    n-heptanol 2769.72
    ethylbenzene 2035.79
    MIBK 5917.36
    2-propoxyethanol 6458.3
    tert-butanol 15836.36
    MTBE 14345.33
    2-butoxyethanol 3579.22
    propionic acid 5996.26
    o-xylene 2021.79
    formic acid 1367.82
    diethyl ether 11368.47
    m-xylene 2254.15
    p-xylene 3076.29
    chlorobenzene 5282.57
    dimethyl carbonate 1364.83
    n-octane 535.25
    formamide 1820.27
    cyclopentanone 12299.5
    2-pentanone 10564.88
    anisole 3009.41
    cyclopentyl methyl ether 7703.43
    gamma-butyrolactone 10046.73
    1-methoxy-2-propanol 6620.1
    pyridine 8947.88
    3-pentanone 6020.86
    furfural 6748.13
    n-dodecane 306.01
    diethylene glycol 2707.36
    diisopropyl ether 3921.83
    tert-amyl alcohol 12291.59
    acetylacetone 8016.9
    n-hexadecane 368.76
    acetophenone 2766.08
    methyl propionate 5437.4
    isopentyl acetate 8343.53
    trichloroethylene 17040.77
    n-nonanol 2509.7
    cyclohexanol 10576.19
    benzyl alcohol 2525.68
    2-ethylhexanol 4216.75
    isooctanol 2391.79
    dipropyl ether 5392.29
    1,2-dichlorobenzene 4091.31
    ethyl lactate 1553.82
    propylene carbonate 6037.09
    n-methylformamide 4440.66
    2-pentanol 9122.29
    n-pentane 2177.18
    1-propoxy-2-propanol 5754.28
    1-methoxy-2-propyl acetate 4962.01
    2-(2-methoxypropoxy) propanol 2479.38
    mesitylene 1617.77
    ε-caprolactone 11344.69
    p-cymene 1348.5
    epichlorohydrin 11044.41
    1,1,1-trichloroethane 12735.88
    2-aminoethanol 2485.08
    morpholine-4-carbaldehyde 5884.21
    sulfolane 9017.6
    2,2,4-trimethylpentane 856.81
    2-methyltetrahydrofuran 13755.23
    n-hexyl acetate 6725.04
    isooctane 759.91
    2-(2-butoxyethoxy)ethanol 3863.25
    sec-butyl acetate 4471.11
    tert-butyl acetate 6722.82
    decalin 1292.63
    glycerin 1707.94
    diglyme 6485.26
    acrylic acid 3602.77
    isopropyl myristate 1965.24
    n-butyric acid 13516.05
    acetyl acetate 5118.55
    di(2-ethylhexyl) phthalate 1278.97
    ethyl propionate 4604.89
    nitromethane 10016.88
    1,2-diethoxyethane 6420.54
    benzonitrile 4570.7
    trioctyl phosphate 1108.69
    1-bromopropane 8716.2
    gamma-valerolactone 12576.02
    n-decanol 1648.0
    triethyl phosphate 1232.71
    4-methyl-2-pentanol 4339.8
    propionitrile 7870.4
    vinylene carbonate 4775.88
    1,1,2-trichlorotrifluoroethane 6097.59
    DMS 2662.7
    cumene 1369.07
    2-octanol 2494.17
    2-hexanone 6984.85
    octyl acetate 2418.03
    limonene 2741.54
    1,2-dimethoxyethane 9113.15
    ethyl orthosilicate 1332.68
    tributyl phosphate 1496.81
    diacetone alcohol 5653.94
    N,N-dimethylaniline 1867.48
    acrylonitrile 6227.78
    aniline 3808.45
    1,3-propanediol 5003.63
    bromobenzene 5854.27
    dibromomethane 10942.61
    1,1,2,2-tetrachloroethane 14890.21
    2-methyl-cyclohexyl acetate 2936.46
    tetrabutyl urea 1806.34
    diisobutyl methanol 2325.96
    2-phenylethanol 2843.85
    styrene 2566.06
    dioctyl adipate 2252.68
    dimethyl sulfate 1869.24
    ethyl butyrate 4905.74
    methyl lactate 1792.61
    butyl lactate 2953.07
    diethyl carbonate 2393.07
    propanediol butyl ether 3327.81
    triethyl orthoformate 2632.29
    p-tert-butyltoluene 1301.07
    methyl 4-tert-butylbenzoate 2356.38
    morpholine 14221.64
    tert-butylamine 10422.2
    n-dodecanol 1189.74
    dimethoxymethane 4963.53
    ethylene carbonate 5079.3
    cyrene 1674.78
    2-ethoxyethyl acetate 4164.46
    2-ethylhexyl acetate 5844.34
    1,2,4-trichlorobenzene 4496.45
    4-methylpyridine 9175.98
    dibutyl ether 5176.6
    2,6-dimethyl-4-heptanol 2325.96
    DEF 8412.59
    dimethyl isosorbide 3596.43
    tetrachloroethylene 9322.86
    eugenol 2081.22
    triacetin 3118.45
    span 80 2871.23
    1,4-butanediol 1688.9
    1,1-dichloroethane 14490.37
    2-methyl-1-pentanol 5486.94
    methyl formate 3044.99
    2-methyl-1-butanol 8676.98
    n-decane 651.34
    butyronitrile 11057.2
    3,7-dimethyl-1-octanol 3120.69
    1-chlorooctane 2496.01
    1-chlorotetradecane 807.07
    n-nonane 747.84
    undecane 421.12
    tert-butylcyclohexane 1170.18
    cyclooctane 1108.67
    cyclopentanol 8919.49
    tetrahydropyran 17836.03
    tert-amyl methyl ether 7270.28
    2,5,8-trioxanonane 3581.72
    1-hexene 7670.99
    2-isopropoxyethanol 3477.85
    2,2,2-trifluoroethanol 1798.63
    methyl butyrate 7386.25

    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