2-Ethylhexyl 2-methylbutyrate

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  • Identifiers

    CAS number
    94200-09-6

    Molecular formula
    C13H26O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 85.31%
    Fatty 54.04%
    Herbal 54.0%
    Oily 53.73%
    Apple 38.92%
    Waxy 34.49%
    Woody 33.15%
    Winey 31.71%
    Sweet 30.7%
    Floral 27.69%

     

    Flavor
    Fruity 79.72%
    Green 74.99%
    Waxy 56.69%
    Sweet 46.21%
    Apple 44.6%
    Oily 41.16%
    Tropical 40.48%
    Floral 37.44%
    Herbal 33.72%
    Berry 33.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.14 (weak base)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 96.21 ˚C est.

  • Synonyms

    • 2-Ethylhexyl 2-methylbutyrate
    • 94200-09-6
    • EINECS 303-486-5
    • 2-ethylhexyl 2-methylbutanoate
    • SCHEMBL1108109
    • DTXSID90916186
    • CQIXPDMUKZPTPX-UHFFFAOYSA-N
    • NS00065252
    • 94200-09-6

  • Applications

    2-Ethylhexyl 2-methylbutyrate (CAS 94200-09-6) is primarily used as a fragrance ingredient and odorant in perfumery, contributing fruity, light notes to fragrance formulations. In cosmetics and personal care, it is commonly employed as a fragrance component in products such as perfumes, lotions, and creams. In household products, including air fresheners and laundry products, it may be added to contribute a pleasant scent. In industrial manufacturing, it is often considered an intermediate for synthesizing other ester-based fragrance ingredients. It is also evaluated as a potential plasticizer for certain polymer or coating formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22965.94
    methanol 19815.37
    isopropanol 21334.29
    water 1.02
    ethyl acetate 28673.41
    n-propanol 19244.98
    acetone 32395.5
    n-butanol 19141.28
    acetonitrile 24232.64
    DMF 15317.26
    toluene 7621.99
    isobutanol 17434.9
    1,4-dioxane 21998.03
    methyl acetate 16674.25
    THF 20540.96
    2-butanone 23774.15
    n-pentanol 10941.79
    sec-butanol 19736.71
    n-hexane 5465.77
    ethylene glycol 710.24
    NMP 10308.48
    cyclohexane 8519.4
    DMSO 10918.12
    n-butyl acetate 25001.01
    n-octanol 5402.62
    chloroform 31662.26
    n-propyl acetate 17667.38
    acetic acid 12200.15
    dichloromethane 28351.09
    cyclohexanone 29402.0
    propylene glycol 1719.16
    isopropyl acetate 18714.85
    DMAc 10242.48
    2-ethoxyethanol 9081.31
    isopentanol 18089.57
    n-heptane 2112.93
    ethyl formate 13527.28
    1,2-dichloroethane 22622.81
    n-hexanol 12461.24
    2-methoxyethanol 13223.22
    isobutyl acetate 9106.25
    tetrachloromethane 7019.59
    n-pentyl acetate 12445.14
    transcutol 23749.54
    n-heptanol 5255.27
    ethylbenzene 4984.35
    MIBK 11618.38
    2-propoxyethanol 11115.04
    tert-butanol 23936.42
    MTBE 34190.43
    2-butoxyethanol 6836.76
    propionic acid 9462.29
    o-xylene 4488.95
    formic acid 1915.11
    diethyl ether 30727.56
    m-xylene 4500.3
    p-xylene 7296.32
    chlorobenzene 12103.79
    dimethyl carbonate 2495.66
    n-octane 950.2
    formamide 3478.85
    cyclopentanone 19466.64
    2-pentanone 22561.53
    anisole 7242.34
    cyclopentyl methyl ether 14008.41
    gamma-butyrolactone 17361.52
    1-methoxy-2-propanol 10240.61
    pyridine 21268.65
    3-pentanone 12672.1
    furfural 11634.64
    n-dodecane 499.41
    diethylene glycol 3765.43
    diisopropyl ether 8934.41
    tert-amyl alcohol 21894.69
    acetylacetone 15050.93
    n-hexadecane 606.21
    acetophenone 6314.52
    methyl propionate 12142.06
    isopentyl acetate 19603.34
    trichloroethylene 35293.09
    n-nonanol 4225.31
    cyclohexanol 16778.28
    benzyl alcohol 4976.11
    2-ethylhexanol 8619.43
    isooctanol 4734.8
    dipropyl ether 11446.27
    1,2-dichlorobenzene 8767.63
    ethyl lactate 2786.83
    propylene carbonate 10493.22
    n-methylformamide 8823.69
    2-pentanol 16001.63
    n-pentane 3730.83
    1-propoxy-2-propanol 10392.12
    1-methoxy-2-propyl acetate 9859.62
    2-(2-methoxypropoxy) propanol 3750.01
    mesitylene 2990.68
    ε-caprolactone 22642.07
    p-cymene 2705.24
    epichlorohydrin 21378.45
    1,1,1-trichloroethane 25381.54
    2-aminoethanol 3117.0
    morpholine-4-carbaldehyde 10615.92
    sulfolane 11623.75
    2,2,4-trimethylpentane 1607.59
    2-methyltetrahydrofuran 24468.14
    n-hexyl acetate 12702.7
    isooctane 1318.64
    2-(2-butoxyethoxy)ethanol 6034.84
    sec-butyl acetate 12339.95
    tert-butyl acetate 14231.68
    decalin 2435.88
    glycerin 1577.62
    diglyme 12677.27
    acrylic acid 5526.9
    isopropyl myristate 3408.66
    n-butyric acid 23398.96
    acetyl acetate 11184.4
    di(2-ethylhexyl) phthalate 2036.26
    ethyl propionate 12244.45
    nitromethane 19488.92
    1,2-diethoxyethane 17306.92
    benzonitrile 10750.84
    trioctyl phosphate 1744.69
    1-bromopropane 18099.25
    gamma-valerolactone 21945.1
    n-decanol 2642.42
    triethyl phosphate 2457.2
    4-methyl-2-pentanol 7216.81
    propionitrile 18708.56
    vinylene carbonate 8870.51
    1,1,2-trichlorotrifluoroethane 9086.75
    DMS 5023.88
    cumene 3088.67
    2-octanol 4703.82
    2-hexanone 14856.23
    octyl acetate 4072.72
    limonene 5240.29
    1,2-dimethoxyethane 19724.25
    ethyl orthosilicate 2686.49
    tributyl phosphate 2491.77
    diacetone alcohol 8715.18
    N,N-dimethylaniline 4139.0
    acrylonitrile 15056.85
    aniline 8339.24
    1,3-propanediol 7248.89
    bromobenzene 13274.34
    dibromomethane 21743.43
    1,1,2,2-tetrachloroethane 26999.53
    2-methyl-cyclohexyl acetate 5619.79
    tetrabutyl urea 2784.46
    diisobutyl methanol 4056.44
    2-phenylethanol 5435.43
    styrene 6593.14
    dioctyl adipate 3599.86
    dimethyl sulfate 2830.94
    ethyl butyrate 13141.73
    methyl lactate 2550.04
    butyl lactate 5211.64
    diethyl carbonate 5571.46
    propanediol butyl ether 4569.63
    triethyl orthoformate 6025.25
    p-tert-butyltoluene 2507.32
    methyl 4-tert-butylbenzoate 4068.36
    morpholine 27729.85
    tert-butylamine 18025.29
    n-dodecanol 1838.94
    dimethoxymethane 9174.89
    ethylene carbonate 9818.71
    cyrene 2453.72
    2-ethoxyethyl acetate 10449.21
    2-ethylhexyl acetate 13968.79
    1,2,4-trichlorobenzene 8776.15
    4-methylpyridine 22549.95
    dibutyl ether 11082.54
    2,6-dimethyl-4-heptanol 4056.44
    DEF 19032.98
    dimethyl isosorbide 5482.88
    tetrachloroethylene 17844.46
    eugenol 3534.55
    triacetin 5213.94
    span 80 4008.01
    1,4-butanediol 2579.43
    1,1-dichloroethane 30375.47
    2-methyl-1-pentanol 10909.35
    methyl formate 5692.86
    2-methyl-1-butanol 16561.24
    n-decane 1142.55
    butyronitrile 25792.55
    3,7-dimethyl-1-octanol 5539.19
    1-chlorooctane 4659.89
    1-chlorotetradecane 1285.67
    n-nonane 1276.71
    undecane 702.84
    tert-butylcyclohexane 2137.46
    cyclooctane 1840.14
    cyclopentanol 12395.05
    tetrahydropyran 35929.8
    tert-amyl methyl ether 16898.61
    2,5,8-trioxanonane 5641.02
    1-hexene 14006.1
    2-isopropoxyethanol 6993.49
    2,2,2-trifluoroethanol 2549.29
    methyl butyrate 19561.36

    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