Methyl 2-ethylbutyrate

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  • Identifiers

    CAS number
    816-11-5

    Molecular formula
    C7H14O2

    SMILES
    CCC(CC)C(=O)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 97.98%
    Apple 66.45%
    Sweet 59.76%
    Pineapple 56.44%
    Tropical 51.07%
    Ethereal 50.7%
    Banana 50.14%
    Green 45.98%
    Berry 43.7%
    Ripe 39.83%

     

    Flavor
    Fruity 93.25%
    Green 69.53%
    Sweet 69.11%
    Apple 63.52%
    Pineapple 49.71%
    Berry 48.65%
    Tropical 47.31%
    Waxy 43.7%
    Fruit 39.68%
    Pear 38.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.45 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    140°C

    Flash point

    • 37.95 ˚C est.

  • Synonyms

    • Methyl 2-ethylbutanoate
    • Methyl 2-ethylbutyrate
    • 816-11-5
    • Butanoic acid, 2-ethyl-, methyl ester
    • Butanoic acid,2-ethyl-, methyl ester
    • 2-ethyl-butyric acid methyl ester
    • Butyric acid, 2-ethyl-, methyl ester
    • EINECS 212-428-7
    • DTXSID40231215
    • 2-Ethylbutyric acid, methyl ester
    • NSC 509555
    • NSC-509555
    • Methyl2-ethylbutanoate
    • SCHEMBL184812
    • TN25L56YL2
    • 2-ethylbutanoic acid methyl ester
    • DTXCID40153706
    • MFCD00225587
    • NSC509555
    • AKOS009513280
    • CM-0016
    • CS-0161292
    • NS00038143
    • E76971
    • Q63395261
    • 212-428-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2179.96
    methanol 2840.5
    isopropanol 2103.46
    water 8.55
    ethyl acetate 1842.11
    n-propanol 2028.57
    acetone 2877.27
    n-butanol 1629.02
    acetonitrile 3676.56
    DMF 2697.01
    toluene 859.67
    isobutanol 1617.93
    1,4-dioxane 3627.24
    methyl acetate 2148.58
    THF 3540.57
    2-butanone 2301.04
    n-pentanol 1193.43
    sec-butanol 1966.01
    n-hexane 455.24
    ethylene glycol 440.32
    NMP 3085.75
    cyclohexane 644.08
    DMSO 2424.13
    n-butyl acetate 1430.05
    n-octanol 811.41
    chloroform 7276.08
    n-propyl acetate 1356.05
    acetic acid 2990.93
    dichloromethane 6436.34
    cyclohexanone 3283.23
    propylene glycol 638.89
    isopropyl acetate 1061.88
    DMAc 1598.18
    2-ethoxyethanol 1457.92
    isopentanol 1330.3
    n-heptane 201.91
    ethyl formate 1531.64
    1,2-dichloroethane 3641.87
    n-hexanol 1056.64
    2-methoxyethanol 2070.61
    isobutyl acetate 777.58
    tetrachloromethane 1670.75
    n-pentyl acetate 1135.65
    transcutol 2600.29
    n-heptanol 648.85
    ethylbenzene 600.69
    MIBK 914.18
    2-propoxyethanol 1478.71
    tert-butanol 2268.58
    MTBE 1777.91
    2-butoxyethanol 1006.18
    propionic acid 2232.66
    o-xylene 605.11
    formic acid 889.7
    diethyl ether 1966.6
    m-xylene 610.12
    p-xylene 874.49
    chlorobenzene 2009.68
    dimethyl carbonate 503.43
    n-octane 120.12
    formamide 1192.1
    cyclopentanone 3686.4
    2-pentanone 1635.55
    anisole 1082.78
    cyclopentyl methyl ether 1826.18
    gamma-butyrolactone 4432.91
    1-methoxy-2-propanol 1408.54
    pyridine 2898.65
    3-pentanone 1269.33
    furfural 3172.82
    n-dodecane 94.43
    diethylene glycol 942.95
    diisopropyl ether 582.89
    tert-amyl alcohol 1829.84
    acetylacetone 1551.96
    n-hexadecane 109.86
    acetophenone 1012.5
    methyl propionate 1345.65
    isopentyl acetate 1177.45
    trichloroethylene 6908.39
    n-nonanol 654.49
    cyclohexanol 1768.71
    benzyl alcohol 911.56
    2-ethylhexanol 704.6
    isooctanol 558.0
    dipropyl ether 752.1
    1,2-dichlorobenzene 1828.38
    ethyl lactate 538.62
    propylene carbonate 2273.99
    n-methylformamide 2132.03
    2-pentanol 1218.67
    n-pentane 344.59
    1-propoxy-2-propanol 1066.07
    1-methoxy-2-propyl acetate 902.7
    2-(2-methoxypropoxy) propanol 642.39
    mesitylene 439.25
    ε-caprolactone 2692.89
    p-cymene 384.14
    epichlorohydrin 3998.5
    1,1,1-trichloroethane 4026.04
    2-aminoethanol 930.29
    morpholine-4-carbaldehyde 2596.02
    sulfolane 4766.89
    2,2,4-trimethylpentane 203.89
    2-methyltetrahydrofuran 3443.76
    n-hexyl acetate 1583.79
    isooctane 141.93
    2-(2-butoxyethoxy)ethanol 992.36
    sec-butyl acetate 785.7
    tert-butyl acetate 1169.56
    decalin 273.67
    glycerin 724.63
    diglyme 1842.87
    acrylic acid 2001.2
    isopropyl myristate 495.51
    n-butyric acid 2281.22
    acetyl acetate 1081.87
    di(2-ethylhexyl) phthalate 398.51
    ethyl propionate 1074.44
    nitromethane 4474.04
    1,2-diethoxyethane 1257.05
    benzonitrile 1857.15
    trioctyl phosphate 339.8
    1-bromopropane 2167.46
    gamma-valerolactone 3789.84
    n-decanol 459.56
    triethyl phosphate 405.26
    4-methyl-2-pentanol 583.72
    propionitrile 2579.89
    vinylene carbonate 2162.91
    1,1,2-trichlorotrifluoroethane 2288.57
    DMS 928.31
    cumene 430.62
    2-octanol 601.55
    2-hexanone 1267.55
    octyl acetate 667.22
    limonene 571.5
    1,2-dimethoxyethane 2285.03
    ethyl orthosilicate 381.97
    tributyl phosphate 440.29
    diacetone alcohol 1113.0
    N,N-dimethylaniline 675.12
    acrylonitrile 3087.31
    aniline 1217.09
    1,3-propanediol 1317.14
    bromobenzene 2141.25
    dibromomethane 4433.86
    1,1,2,2-tetrachloroethane 5272.28
    2-methyl-cyclohexyl acetate 712.82
    tetrabutyl urea 527.3
    diisobutyl methanol 386.58
    2-phenylethanol 790.81
    styrene 819.42
    dioctyl adipate 618.08
    dimethyl sulfate 893.8
    ethyl butyrate 944.39
    methyl lactate 624.4
    butyl lactate 773.93
    diethyl carbonate 628.25
    propanediol butyl ether 905.11
    triethyl orthoformate 591.35
    p-tert-butyltoluene 372.53
    methyl 4-tert-butylbenzoate 792.4
    morpholine 3759.79
    tert-butylamine 1551.21
    n-dodecanol 335.2
    dimethoxymethane 1281.51
    ethylene carbonate 1805.6
    cyrene 672.55
    2-ethoxyethyl acetate 1113.75
    2-ethylhexyl acetate 921.78
    1,2,4-trichlorobenzene 2034.97
    4-methylpyridine 2668.34
    dibutyl ether 853.82
    2,6-dimethyl-4-heptanol 386.58
    DEF 1655.44
    dimethyl isosorbide 1126.1
    tetrachloroethylene 3816.58
    eugenol 782.82
    triacetin 977.06
    span 80 724.98
    1,4-butanediol 642.42
    1,1-dichloroethane 4078.17
    2-methyl-1-pentanol 1021.32
    methyl formate 1657.73
    2-methyl-1-butanol 1382.75
    n-decane 164.06
    butyronitrile 2395.76
    3,7-dimethyl-1-octanol 652.41
    1-chlorooctane 632.32
    1-chlorotetradecane 238.17
    n-nonane 176.3
    undecane 119.46
    tert-butylcyclohexane 266.96
    cyclooctane 185.55
    cyclopentanol 2245.79
    tetrahydropyran 3263.54
    tert-amyl methyl ether 1126.04
    2,5,8-trioxanonane 982.66
    1-hexene 1121.24
    2-isopropoxyethanol 950.45
    2,2,2-trifluoroethanol 988.58
    methyl butyrate 1512.48

    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