Ethyl 2-methylbutyrate

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  • Identifiers

    CAS number
    7452-79-1

    Molecular formula
    C7H14O2

    SMILES
    CCC(C)C(=O)OCC

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 853.5
    • Carbowax: 1055.17

  • Odor profile

    Fruity 97.96%
    Apple 75.01%
    Green 73.99%
    Sweet 73.67%
    Pineapple 70.31%
    Tropical 68.66%
    Banana 59.82%
    Ethereal 56.52%
    Ripe 48.52%
    Pear 48.26%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.14 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 132.00 to 133.00 °C. @ 760.00 mm Hg

    Flash point est.
    34.46 ˚C

    Solubility expt.

    • soluble in alcohol, propylene glycol; very slightly soluble in water; miscible with most fixed oils

  • Synonyms

    • Ethyl 2-methylbutyrate
    • 7452-79-1
    • ETHYL 2-METHYLBUTANOATE
    • Butanoic acid, 2-methyl-, ethyl ester
    • Ethyl 2-methyl butyrate
    • Butyric acid, 2-methyl-, ethyl ester
    • Ethyl alpha-methylbutyrate
    • 2-Methylbutanoic acid ethyl ester
    • FEMA No. 2443
    • D-ethyl 2-methylbutyrate
    • UNII-L1T4AB29DS
    • NSC 1103
    • L1T4AB29DS
    • Ethyl .alpha.-methylbutyrate
    • Ethyl 2-methylbutyrate (natural)
    • ethyl 2-methyl-butanoate
    • NSC-1103
    • EINECS 231-225-4
    • AI3-35155
    • DTXSID3052488
    • CHEBI:88452
    • FEMA 2443
    • EC 231-225-4
    • ETHYL 2-METHYLBUTYRATE [FCC]
    • ETHYL 2-METHYLBUTYRATE [FHFI]
    • (2R)-2-Methyl-butanoicAcidEthylEster
    • WE(2:0/4:0(2Me))
    • ETHYL 2-METHYLBUTANOATE, (+/-)-
    • 2-Methyl-ethyl ester(.+-.)-Butanoic acid
    • 2-Methyl-ethyl ester(.+/-.)-Butanoic acid
    • Ethyl2-Methylbutyrate-D3
    • DL-2-Methylbutyric Acid Ethyl Ester
    • Ethyl 2-methylbutyrate, mixture of enantiomers
    • MFCD00012217
    • ethyl-2-methylbutanoate
    • ethyl-2-methyl butyrate
    • Ethyl 2-methylbutyric acid
    • Ethyl DL-2-Methylbutyrate
    • Ethyl alpha -methylbutyrate
    • Ethyl 2-methyl-butanoic acid
    • ETHYL2-METHYLBUTANOATE
    • SCHEMBL118486
    • Ethyl 2-methylbutyrate, 99%
    • DTXCID4031061
    • 2-Methylbutyric acid ethyl ester
    • NSC1103
    • LMFA07010506
    • AKOS009166025
    • CS-W011108
    • 2-Methyl-ethyl ester(+-)-butanoic acid
    • LS-13338
    • 2-Methyl-ethyl ester(+/-)-butanoic acid
    • DB-055889
    • Ethyl 2-methylbutyrate, >=98%, FCC, FG
    • M0757
    • NS00001050
    • Butyric acid, 2-methyl-, ethyl ester (8CI)
    • Ethyl 2-methylbutyrate Natural (Optically Active)
    • Q1371466
    • 231-225-4

  • Applications

    Ethyl 2-methylbutyrate (CAS 7452-79-1) is a strongly fruity ester employed as a flavor additive to recreate apple, pineapple, strawberry and cherry notes in confectionery, beverages, yogurt, ice cream, chewing gum and pharmaceuticals for taste masking; it also serves as a top-note ingredient in perfumes, air fresheners, scented candles and personal-care products, imparting a fresh, sweet nuance; beyond perfumery it is used in e-liquids, insect attractant formulations, printing-ink and paint solvents, GC/MS reference standards, organic-synthesis intermediates and pharmacological research, prized for its biodegradability, low toxicity and compliance with FEMA 2454 and EU 1334/2008 flavor-additive regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2851.38
    methanol 3432.23
    isopropanol 2811.41
    water 13.3
    ethyl acetate 1809.82
    n-propanol 2487.06
    acetone 2882.75
    n-butanol 2118.76
    acetonitrile 4069.43
    DMF 2774.92
    toluene 999.12
    isobutanol 2018.49
    1,4-dioxane 3140.91
    methyl acetate 2019.85
    THF 3005.04
    2-butanone 2376.36
    n-pentanol 1832.61
    sec-butanol 2688.92
    n-hexane 696.2
    ethylene glycol 505.24
    NMP 2762.93
    cyclohexane 847.76
    DMSO 2324.31
    n-butyl acetate 2125.49
    n-octanol 1462.11
    chloroform 8928.86
    n-propyl acetate 1540.6
    acetic acid 3143.7
    dichloromethane 8326.41
    cyclohexanone 3257.22
    propylene glycol 837.11
    isopropyl acetate 1056.09
    DMAc 2083.87
    2-ethoxyethanol 1688.4
    isopentanol 1807.89
    n-heptane 389.38
    ethyl formate 1849.72
    1,2-dichloroethane 3623.94
    n-hexanol 1759.99
    2-methoxyethanol 2245.24
    isobutyl acetate 926.43
    tetrachloromethane 1630.24
    n-pentyl acetate 1443.47
    transcutol 3141.99
    n-heptanol 1062.59
    ethylbenzene 860.42
    MIBK 980.59
    2-propoxyethanol 1819.02
    tert-butanol 2873.51
    MTBE 1955.16
    2-butoxyethanol 1311.87
    propionic acid 2251.7
    o-xylene 788.15
    formic acid 866.5
    diethyl ether 1781.73
    m-xylene 700.25
    p-xylene 1349.09
    chlorobenzene 2325.81
    dimethyl carbonate 518.46
    n-octane 223.44
    formamide 1194.6
    cyclopentanone 3124.32
    2-pentanone 1637.2
    anisole 1404.56
    cyclopentyl methyl ether 1499.89
    gamma-butyrolactone 3577.84
    1-methoxy-2-propanol 1583.44
    pyridine 3293.36
    3-pentanone 1273.17
    furfural 3309.59
    n-dodecane 189.71
    diethylene glycol 1112.22
    diisopropyl ether 612.02
    tert-amyl alcohol 2594.7
    acetylacetone 1538.69
    n-hexadecane 208.38
    acetophenone 1421.23
    methyl propionate 1275.3
    isopentyl acetate 1627.88
    trichloroethylene 7256.22
    n-nonanol 1118.53
    cyclohexanol 2094.84
    benzyl alcohol 1280.44
    2-ethylhexanol 1202.63
    isooctanol 883.43
    dipropyl ether 1046.27
    1,2-dichlorobenzene 2111.41
    ethyl lactate 677.37
    propylene carbonate 2214.68
    n-methylformamide 1972.08
    2-pentanol 1566.83
    n-pentane 509.25
    1-propoxy-2-propanol 1423.62
    1-methoxy-2-propyl acetate 1073.94
    2-(2-methoxypropoxy) propanol 1012.16
    mesitylene 502.97
    ε-caprolactone 2741.51
    p-cymene 621.5
    epichlorohydrin 3654.09
    1,1,1-trichloroethane 3982.92
    2-aminoethanol 1160.69
    morpholine-4-carbaldehyde 2399.07
    sulfolane 3526.86
    2,2,4-trimethylpentane 295.17
    2-methyltetrahydrofuran 2942.53
    n-hexyl acetate 2212.67
    isooctane 206.24
    2-(2-butoxyethoxy)ethanol 1337.26
    sec-butyl acetate 935.97
    tert-butyl acetate 1094.02
    decalin 394.0
    glycerin 821.5
    diglyme 2431.91
    acrylic acid 2000.7
    isopropyl myristate 736.82
    n-butyric acid 2576.87
    acetyl acetate 1093.56
    di(2-ethylhexyl) phthalate 606.27
    ethyl propionate 1182.85
    nitromethane 4240.04
    1,2-diethoxyethane 1526.64
    benzonitrile 2607.85
    trioctyl phosphate 531.45
    1-bromopropane 2608.88
    gamma-valerolactone 3486.85
    n-decanol 774.04
    triethyl phosphate 584.31
    4-methyl-2-pentanol 830.53
    propionitrile 2746.13
    vinylene carbonate 2298.03
    1,1,2-trichlorotrifluoroethane 2425.47
    DMS 1059.75
    cumene 641.28
    2-octanol 1026.74
    2-hexanone 1678.38
    octyl acetate 972.4
    limonene 905.16
    1,2-dimethoxyethane 2860.24
    ethyl orthosilicate 540.5
    tributyl phosphate 649.99
    diacetone alcohol 1118.08
    N,N-dimethylaniline 955.12
    acrylonitrile 3297.05
    aniline 1356.64
    1,3-propanediol 1535.96
    bromobenzene 2547.63
    dibromomethane 5250.85
    1,1,2,2-tetrachloroethane 5344.43
    2-methyl-cyclohexyl acetate 1003.55
    tetrabutyl urea 783.98
    diisobutyl methanol 624.29
    2-phenylethanol 1180.29
    styrene 1178.72
    dioctyl adipate 939.41
    dimethyl sulfate 822.6
    ethyl butyrate 1325.75
    methyl lactate 664.65
    butyl lactate 1036.67
    diethyl carbonate 968.61
    propanediol butyl ether 1344.58
    triethyl orthoformate 797.35
    p-tert-butyltoluene 568.08
    methyl 4-tert-butylbenzoate 1093.05
    morpholine 3303.1
    tert-butylamine 2138.95
    n-dodecanol 589.72
    dimethoxymethane 1233.77
    ethylene carbonate 1801.38
    cyrene 831.09
    2-ethoxyethyl acetate 1255.32
    2-ethylhexyl acetate 1232.76
    1,2,4-trichlorobenzene 2317.64
    4-methylpyridine 3313.65
    dibutyl ether 1407.07
    2,6-dimethyl-4-heptanol 624.29
    DEF 1908.56
    dimethyl isosorbide 1416.2
    tetrachloroethylene 3702.83
    eugenol 1114.1
    triacetin 1302.46
    span 80 1092.22
    1,4-butanediol 881.6
    1,1-dichloroethane 4431.45
    2-methyl-1-pentanol 1644.29
    methyl formate 1598.42
    2-methyl-1-butanol 1817.72
    n-decane 317.97
    butyronitrile 3053.16
    3,7-dimethyl-1-octanol 1162.76
    1-chlorooctane 1052.89
    1-chlorotetradecane 410.42
    n-nonane 341.39
    undecane 233.17
    tert-butylcyclohexane 394.98
    cyclooctane 241.39
    cyclopentanol 2326.51
    tetrahydropyran 3099.35
    tert-amyl methyl ether 1341.97
    2,5,8-trioxanonane 1490.32
    1-hexene 1680.13
    2-isopropoxyethanol 1180.82
    2,2,2-trifluoroethanol 802.82
    methyl butyrate 1913.44

    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
Cedarleaf 3 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 1.25%
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.04%
Artemisia judaica (Egypt) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 1.08%
Artemisia judaica (Egypt) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.42%
Tagetes 2 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.2%
Annual wormwood (China) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.05%
Annual wormwood (Yugoslavia) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.25%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.19%
Calamintha nepeta (Turkey) 2 Calamintha nepeta (L.) Savi ssp. glandulosa (Req.) P.W.Ball, fam.Lamiaceae 0.02%
Artemisia judaica (Israel) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.3%
Annual wormwood (France) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.17%
Chamomile, german (Germany) 1 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.17%
Chamomile, german (Germany) 2, Living Flower 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 6.15%
Cedarleaf (Japan) 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 1.25%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Michelia balansae flower headspace (China) Michelia balansae (A. DC.) Dandy, fam. Magnoliaceae 0.43%
Michelia figo flower headspace (China) Michelia figo (Lour.) Spreng, fam. Magnoliaceae 1.86%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 3.66%
Otostegia fruticosa Otostegia fruticosa Forssk., fam. Lamiaceae (Labiatae) 0.01%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.4%
Chamomile, german (Egypt) 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.15%
Oregano, mexican (U.S.A.) 2 Lippia graveolens HBK., fam. Verbenaceae 0.01%
Tagetes (Turkey) 8016-84-0 Tagetes minuta L. (T. glandulifera Schrank), fam. Asteraceae (Compositae) 0.08%
Tagetes (Rwanda) 1 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.3%
Tagetes (France) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.1%
Tagetes lemmonii Tagetes lemmonii Gray, fam. Asteraceae (Compositae) 0.33%
Tagetes (Cameroon) 1a leaf 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.01%
Tagetes (Cameroon) 1b flower 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.01%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 0.5%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.01%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 1.64%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 1.0%