Ethyl isobutyrate

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  • Identifiers

    CAS number
    97-62-1

    Molecular formula
    C6H12O2

    SMILES
    CCOC(=O)C(C)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 761.5
    • Carbowax: 963.75

  • Odor profile

    Fruity 98.08%
    Sweet 84.86%
    Ethereal 72.81%
    Pineapple 70.57%
    Apple 70.39%
    Tropical 62.15%
    Banana 61.7%
    Rummy 59.47%
    Green 55.21%
    Juicy 47.51%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -88.2 °C

    Boiling point

    • 112.00 to 113.00 °C. @ 760.00 mm Hg

    Flash point est.
    15.35 ˚C

    Flash point expt.

    • less than 70 °F (NFPA, 2010)

    Solubility expt.

    • very soluble in ether
    • 1 ml in 1 ml 95% alcohol (in ethanol)

  • Synonyms

    • ETHYL ISOBUTYRATE
    • 97-62-1
    • Ethyl 2-methylpropanoate
    • Isobutyric acid ethyl ester
    • Ethylisobutyrate
    • Ethyl isobutanoate
    • Propanoic acid, 2-methyl-, ethyl ester
    • Ethyl 2,2-dimethylacetate
    • Isobutyric acid, ethyl ester
    • Ethyl 2-methylpropionate
    • Ethyl iso-butyrate
    • FEMA No. 2428
    • Propionic acid, 2-methyl-, ethyl ester
    • EINECS 202-595-4
    • NSC 97194
    • UN2385
    • Ethylmethylpropanoate
    • UNII-9A9661LN4H
    • BRN 0773846
    • ethyl methylpropanoate
    • CHEBI:87303
    • AI3-06121
    • 2-methylpropanoic acid ethyl ester
    • Ethyl-2-methylproanoate
    • ethyl 2-methyl-propionyl
    • NSC-97194
    • ETHYL ISOBUTYRATE [MI]
    • Ethyl 2-methylpropanoate, 9CI
    • ETHYL ISOBUTYRATE [FCC]
    • DTXSID7047728
    • ETHYL ISOBUTYRATE [FHFI]
    • FEMA 2428
    • 9A9661LN4H
    • 2-methyl-propanoic acid ethyl ester
    • ISO BUTYRIC ACID ETHYL ESTER
    • Ethyl ester of 2-methyl-propanoic acid
    • UN 2385
    • WE(2:0/3:0(2Me))
    • Ethyl isobutyrate (natural)
    • 2-methyl-propionic acid ethyl ester
    • MFCD00009165
    • Ethyl 2methylpropanoate
    • Ethyl 2methylpropionate
    • Isobutyrate ethyl ester
    • Ethyl 2,2dimethylacetate
    • Ethyl isobutyrate, 99%
    • isobutanoic acid ethyl ester
    • Ethyl 2-methylpropanoic acid
    • SCHEMBL80284
    • Ethyl 2,2-dimethylacetic acid
    • CHEMBL295870
    • WLN: 2OVY1&1
    • DTXCID6027717
    • 2Methylpropanoic acid ethyl ester
    • 2Methylpropionic acid ethyl ester
    • 2-methylpropionic acid ethyl ester
    • 2-methylpropanoic acid, ethyl ester
    • NSC97194
    • LMFA07010503
    • Ethyl isobutyrate, analytical standard
    • Propanoic acid, 2methyl, ethyl ester
    • Propionic acid, 2methyl, ethyl ester
    • AKOS008948132
    • Ethyl isobutyrate, >=98%, FCC, FG
    • BS-24579
    • FE139442
    • I0105
    • NS00012423
    • EN300-45229
    • Ethyl isobutyrate, natural, >=98%, FCC, FG
    • Ethyl isobutyrate [UN2385] [Flammable liquid]
    • Q27159510
    • 202-595-4

  • Applications

    Ethyl isobutyrate (CAS 97-62-1), also known as ethyl 2-methylpropanoate, is an ester with a characteristic pineapple-strawberry odour that the flavour industry employs at ppm levels to recreate bright, juicy notes in carbonated soft drinks, fruit juices, liqueurs, ice cream, jellies, pastries and chewing gum, while improving the fresh mouthfeel of tropical blends; in tobacco flavouring it is blended to soften smoke harshness and add a subtle fruity top note; in perfumes, body sprays, shampoos and other personal-care products it delivers a sweet, volatile burst and at the same time serves as a light solvent for essential oils; thanks to its moderate evaporation rate, good miscibility with organic solvents and low toxicity, ethyl isobutyrate is also chosen as a co-solvent in printing inks, paints, coatings, precision cleaning fluids and as an intermediate in the synthesis of pharmaceuticals, agrochemicals or other aroma chemicals, meeting FCC/ISO specifications with stringent heavy-metal limits and a safety profile endorsed by FEMA, the EU and JECFA.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1961.19
    methanol 2961.56
    isopropanol 1772.94
    water 22.67
    ethyl acetate 1813.84
    n-propanol 1677.1
    acetone 2920.11
    n-butanol 1583.46
    acetonitrile 2820.69
    DMF 2875.81
    toluene 822.35
    isobutanol 1498.83
    1,4-dioxane 2335.51
    methyl acetate 1923.34
    THF 2436.34
    2-butanone 2328.15
    n-pentanol 1337.58
    sec-butanol 1899.59
    n-hexane 659.34
    ethylene glycol 497.55
    NMP 2620.01
    cyclohexane 550.18
    DMSO 2158.64
    n-butyl acetate 1551.61
    n-octanol 1058.11
    chloroform 5839.32
    n-propyl acetate 1408.83
    acetic acid 2511.34
    dichloromethane 5057.96
    cyclohexanone 2731.92
    propylene glycol 663.48
    isopropyl acetate 1144.94
    DMAc 2452.45
    2-ethoxyethanol 1526.04
    isopentanol 1478.36
    n-heptane 291.88
    ethyl formate 1487.34
    1,2-dichloroethane 2698.13
    n-hexanol 1249.94
    2-methoxyethanol 2127.0
    isobutyl acetate 873.75
    tetrachloromethane 1418.1
    n-pentyl acetate 1204.27
    transcutol 2901.71
    n-heptanol 780.28
    ethylbenzene 715.44
    MIBK 1087.68
    2-propoxyethanol 1647.1
    tert-butanol 2136.38
    MTBE 1995.51
    2-butoxyethanol 1122.27
    propionic acid 1715.73
    o-xylene 755.7
    formic acid 898.55
    diethyl ether 1713.09
    m-xylene 668.59
    p-xylene 1104.6
    chlorobenzene 1512.13
    dimethyl carbonate 633.24
    n-octane 179.29
    formamide 977.22
    cyclopentanone 2810.46
    2-pentanone 1779.22
    anisole 1182.34
    cyclopentyl methyl ether 1432.12
    gamma-butyrolactone 2960.19
    1-methoxy-2-propanol 1509.7
    pyridine 1883.01
    3-pentanone 1509.68
    furfural 2659.82
    n-dodecane 146.13
    diethylene glycol 1052.04
    diisopropyl ether 656.58
    tert-amyl alcohol 2189.58
    acetylacetone 1800.04
    n-hexadecane 162.23
    acetophenone 1246.02
    methyl propionate 1377.49
    isopentyl acetate 1372.04
    trichloroethylene 5041.06
    n-nonanol 812.52
    cyclohexanol 1551.04
    benzyl alcohol 1011.16
    2-ethylhexanol 902.51
    isooctanol 670.3
    dipropyl ether 948.18
    1,2-dichlorobenzene 1599.07
    ethyl lactate 619.4
    propylene carbonate 1781.95
    n-methylformamide 1651.46
    2-pentanol 1361.71
    n-pentane 444.44
    1-propoxy-2-propanol 1222.5
    1-methoxy-2-propyl acetate 1002.55
    2-(2-methoxypropoxy) propanol 884.26
    mesitylene 532.09
    ε-caprolactone 2247.16
    p-cymene 511.94
    epichlorohydrin 2797.25
    1,1,1-trichloroethane 3228.61
    2-aminoethanol 896.59
    morpholine-4-carbaldehyde 2343.48
    sulfolane 3230.4
    2,2,4-trimethylpentane 313.69
    2-methyltetrahydrofuran 2455.22
    n-hexyl acetate 1806.21
    isooctane 210.98
    2-(2-butoxyethoxy)ethanol 1169.72
    sec-butyl acetate 909.76
    tert-butyl acetate 1225.86
    decalin 343.28
    glycerin 776.42
    diglyme 2255.43
    acrylic acid 1591.74
    isopropyl myristate 575.34
    n-butyric acid 1972.08
    acetyl acetate 1223.79
    di(2-ethylhexyl) phthalate 521.37
    ethyl propionate 1201.64
    nitromethane 3484.36
    1,2-diethoxyethane 1380.85
    benzonitrile 1708.47
    trioctyl phosphate 434.07
    1-bromopropane 1902.92
    gamma-valerolactone 2949.59
    n-decanol 562.41
    triethyl phosphate 533.66
    4-methyl-2-pentanol 748.09
    propionitrile 1902.74
    vinylene carbonate 1804.27
    1,1,2-trichlorotrifluoroethane 2141.46
    DMS 1057.78
    cumene 576.35
    2-octanol 744.3
    2-hexanone 1583.07
    octyl acetate 768.65
    limonene 716.32
    1,2-dimethoxyethane 2506.44
    ethyl orthosilicate 523.22
    tributyl phosphate 585.69
    diacetone alcohol 1179.03
    N,N-dimethylaniline 921.01
    acrylonitrile 2334.91
    aniline 1009.11
    1,3-propanediol 1203.24
    bromobenzene 1702.01
    dibromomethane 3436.54
    1,1,2,2-tetrachloroethane 4123.24
    2-methyl-cyclohexyl acetate 839.45
    tetrabutyl urea 679.82
    diisobutyl methanol 538.43
    2-phenylethanol 867.73
    styrene 869.64
    dioctyl adipate 774.83
    dimethyl sulfate 1083.93
    ethyl butyrate 1113.97
    methyl lactate 709.49
    butyl lactate 864.17
    diethyl carbonate 795.78
    propanediol butyl ether 1099.0
    triethyl orthoformate 732.95
    p-tert-butyltoluene 495.81
    methyl 4-tert-butylbenzoate 986.61
    morpholine 2420.4
    tert-butylamine 1615.02
    n-dodecanol 416.58
    dimethoxymethane 1399.81
    ethylene carbonate 1459.74
    cyrene 785.76
    2-ethoxyethyl acetate 1206.71
    2-ethylhexyl acetate 1118.13
    1,2,4-trichlorobenzene 1765.13
    4-methylpyridine 2361.18
    dibutyl ether 1121.6
    2,6-dimethyl-4-heptanol 538.43
    DEF 2115.98
    dimethyl isosorbide 1314.25
    tetrachloroethylene 2894.17
    eugenol 968.86
    triacetin 1186.7
    span 80 849.44
    1,4-butanediol 707.61
    1,1-dichloroethane 3179.59
    2-methyl-1-pentanol 1287.14
    methyl formate 1409.59
    2-methyl-1-butanol 1552.97
    n-decane 244.78
    butyronitrile 2010.35
    3,7-dimethyl-1-octanol 892.17
    1-chlorooctane 816.42
    1-chlorotetradecane 306.84
    n-nonane 266.05
    undecane 180.97
    tert-butylcyclohexane 380.48
    cyclooctane 212.6
    cyclopentanol 1598.74
    tetrahydropyran 2235.96
    tert-amyl methyl ether 1551.46
    2,5,8-trioxanonane 1281.05
    1-hexene 1372.84
    2-isopropoxyethanol 1131.29
    2,2,2-trifluoroethanol 864.25
    methyl butyrate 1714.79

    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

Botanical

Name CAS Botanical Proportion
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.01%
Myrtle leaf (Morocco) 4 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.02%
Myrtle leaf (Tunisia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.1%
Myrtle leaf (Lebanon) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.09%
Michelia figo flower headspace (China) Michelia figo (Lour.) Spreng, fam. Magnoliaceae 3.67%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 6.01%
Oregano, mexican (U.S.A.) 2 Lippia graveolens HBK., fam. Verbenaceae 0.01%
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.5%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 0.8%