Butanoic acid, 2-ethylhexyl ester

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  • Identifiers

    CAS number
    25415-84-3

    Molecular formula
    C12H24O2

    SMILES
    CCCCC(CC)COC(=O)CCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 92.95%
    Herbal 59.02%
    Oily 54.77%
    Fatty 50.64%
    Apple 43.62%
    Winey 42.42%
    Sweet 41.97%
    Waxy 33.97%
    Woody 30.78%
    Pineapple 29.62%

     

    Flavor
    Fruity 83.32%
    Green 69.76%
    Waxy 55.18%
    Apple 49.95%
    Sweet 49.35%
    Tropical 44.72%
    Pear 40.51%
    Oily 40.05%
    Pineapple 39.46%
    Herbal 37.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.09 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point

    • 91.78 ˚C est.

  • Synonyms

    • 2-Ethylhexyl butyrate
    • n-Butyric acid 2-ethylhexyl ester
    • Butanoic acid, 2-ethylhexyl ester
    • EINECS 246-959-0
    • DTXSID00885298
    • RefChem:122089
    • DTXCID901024684
    • 246-959-0
    • LFEQNZNCKDNGRM-UHFFFAOYSA-N
    • 25415-84-3
    • 2-ethylhexyl butanoate
    • MFCD00059428
    • 2-ETHYLHEXYLBUTYRATE
    • Butyric Acid 2-Ethylhexyl Ester
    • 2-Ethylhexyl butyrate #
    • SCHEMBL246876
    • SCHEMBL5147115
    • SCHEMBL5147120
    • n-Butyric acid 2-ethylhexyl ether
    • BS-22903
    • SY054202
    • B0130
    • CS-0205003
    • NS00051062
    • 25415-84-3

  • Applications

    Butanoic acid, 2-ethylhexyl ester (CAS number: 25415-84-3) is widely used as a fragrance ingredient and a light solvent across diverse industries. In perfumery and fragrance applications, it serves as an odorant that helps establish fruity notes and can aid in fragrance stability. In cosmetics and personal care, it is commonly employed as a solvent and fragrance carrier in products such as creams, lotions, and shampoos. In household and cleaning products, it functions as a solvent carrying fragrance compounds and facilitating dispersion of aroma ingredients. In coatings, inks, and other industrial formulations, it can act as a solvent to dissolve and distribute fragrance components. These applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20679.72
    methanol 17874.59
    isopropanol 20705.92
    water 0.37
    ethyl acetate 18921.55
    n-propanol 16330.29
    acetone 30130.29
    n-butanol 14637.94
    acetonitrile 18385.22
    DMF 14508.42
    toluene 5221.81
    isobutanol 13745.25
    1,4-dioxane 14860.25
    methyl acetate 11340.1
    THF 18815.21
    2-butanone 18080.51
    n-pentanol 8771.19
    sec-butanol 15864.42
    n-hexane 3928.69
    ethylene glycol 791.28
    NMP 8559.75
    cyclohexane 5801.19
    DMSO 12216.82
    n-butyl acetate 15334.22
    n-octanol 3622.97
    chloroform 24018.81
    n-propyl acetate 11066.96
    acetic acid 9579.87
    dichloromethane 21952.15
    cyclohexanone 23543.08
    propylene glycol 1887.17
    isopropyl acetate 11993.61
    DMAc 7363.13
    2-ethoxyethanol 6336.7
    isopentanol 13282.75
    n-heptane 1373.04
    ethyl formate 9070.66
    1,2-dichloroethane 16387.3
    n-hexanol 8794.83
    2-methoxyethanol 10414.86
    isobutyl acetate 5604.86
    tetrachloromethane 4204.98
    n-pentyl acetate 7395.9
    transcutol 15922.04
    n-heptanol 3237.89
    ethylbenzene 2928.03
    MIBK 8073.86
    2-propoxyethanol 8125.89
    tert-butanol 19287.98
    MTBE 20601.13
    2-butoxyethanol 4344.11
    propionic acid 7619.52
    o-xylene 2739.72
    formic acid 1411.15
    diethyl ether 19599.63
    m-xylene 2924.4
    p-xylene 4104.84
    chlorobenzene 8058.45
    dimethyl carbonate 1783.4
    n-octane 578.68
    formamide 2445.75
    cyclopentanone 16708.62
    2-pentanone 17027.97
    anisole 4516.98
    cyclopentyl methyl ether 10531.77
    gamma-butyrolactone 13964.03
    1-methoxy-2-propanol 8172.37
    pyridine 16165.12
    3-pentanone 8789.73
    furfural 8978.85
    n-dodecane 318.64
    diethylene glycol 3082.69
    diisopropyl ether 5148.95
    tert-amyl alcohol 14614.58
    acetylacetone 11290.25
    n-hexadecane 386.27
    acetophenone 4016.92
    methyl propionate 8411.74
    isopentyl acetate 11581.5
    trichloroethylene 24911.06
    n-nonanol 2832.51
    cyclohexanol 13186.02
    benzyl alcohol 3528.4
    2-ethylhexanol 5137.9
    isooctanol 2752.7
    dipropyl ether 7335.25
    1,2-dichlorobenzene 5654.18
    ethyl lactate 1987.8
    propylene carbonate 7686.85
    n-methylformamide 7129.16
    2-pentanol 11885.48
    n-pentane 2679.63
    1-propoxy-2-propanol 7118.15
    1-methoxy-2-propyl acetate 6354.66
    2-(2-methoxypropoxy) propanol 2768.15
    mesitylene 1918.07
    ε-caprolactone 15887.52
    p-cymene 1636.61
    epichlorohydrin 16062.89
    1,1,1-trichloroethane 16395.05
    2-aminoethanol 2913.92
    morpholine-4-carbaldehyde 7870.89
    sulfolane 11152.41
    2,2,4-trimethylpentane 853.86
    2-methyltetrahydrofuran 19012.19
    n-hexyl acetate 8298.53
    isooctane 768.14
    2-(2-butoxyethoxy)ethanol 4358.5
    sec-butyl acetate 6740.01
    tert-butyl acetate 8737.28
    decalin 1434.82
    glycerin 1622.19
    diglyme 8389.46
    acrylic acid 4409.93
    isopropyl myristate 2299.12
    n-butyric acid 17532.28
    acetyl acetate 6832.29
    di(2-ethylhexyl) phthalate 1447.83
    ethyl propionate 7494.53
    nitromethane 14440.38
    1,2-diethoxyethane 10038.15
    benzonitrile 7439.07
    trioctyl phosphate 1206.49
    1-bromopropane 13861.71
    gamma-valerolactone 16771.87
    n-decanol 1800.91
    triethyl phosphate 1573.18
    4-methyl-2-pentanol 4909.5
    propionitrile 13372.88
    vinylene carbonate 6380.82
    1,1,2-trichlorotrifluoroethane 7650.83
    DMS 3294.77
    cumene 1745.66
    2-octanol 2920.06
    2-hexanone 10612.48
    octyl acetate 2810.19
    limonene 3310.27
    1,2-dimethoxyethane 13834.88
    ethyl orthosilicate 1644.06
    tributyl phosphate 1692.58
    diacetone alcohol 6327.09
    N,N-dimethylaniline 2527.26
    acrylonitrile 11391.24
    aniline 5897.95
    1,3-propanediol 5760.34
    bromobenzene 8927.48
    dibromomethane 17337.03
    1,1,2,2-tetrachloroethane 19230.38
    2-methyl-cyclohexyl acetate 3432.08
    tetrabutyl urea 2037.38
    diisobutyl methanol 2574.37
    2-phenylethanol 3582.24
    styrene 4161.91
    dioctyl adipate 2642.6
    dimethyl sulfate 2225.77
    ethyl butyrate 7368.57
    methyl lactate 2069.33
    butyl lactate 3678.21
    diethyl carbonate 3287.65
    propanediol butyl ether 3643.97
    triethyl orthoformate 3419.46
    p-tert-butyltoluene 1542.93
    methyl 4-tert-butylbenzoate 2678.9
    morpholine 21318.37
    tert-butylamine 12848.7
    n-dodecanol 1266.75
    dimethoxymethane 7256.32
    ethylene carbonate 6704.7
    cyrene 1868.63
    2-ethoxyethyl acetate 6060.05
    2-ethylhexyl acetate 8095.95
    1,2,4-trichlorobenzene 5932.64
    4-methylpyridine 15575.4
    dibutyl ether 7197.17
    2,6-dimethyl-4-heptanol 2574.37
    DEF 13619.01
    dimethyl isosorbide 4058.83
    tetrachloroethylene 12366.14
    eugenol 2423.77
    triacetin 3769.3
    span 80 3135.29
    1,4-butanediol 2075.28
    1,1-dichloroethane 21955.88
    2-methyl-1-pentanol 7433.11
    methyl formate 4389.2
    2-methyl-1-butanol 11571.51
    n-decane 698.85
    butyronitrile 18811.18
    3,7-dimethyl-1-octanol 3499.97
    1-chlorooctane 2929.28
    1-chlorotetradecane 868.89
    n-nonane 799.52
    undecane 441.69
    tert-butylcyclohexane 1246.65
    cyclooctane 1175.42
    cyclopentanol 11002.31
    tetrahydropyran 26651.58
    tert-amyl methyl ether 10000.25
    2,5,8-trioxanonane 4273.11
    1-hexene 11307.13
    2-isopropoxyethanol 4808.5
    2,2,2-trifluoroethanol 1797.11
    methyl butyrate 12714.27

    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