Ethyl butyrate

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  • Identifiers

    CAS number
    105-54-4

    Molecular formula
    C6H12O2

    SMILES
    CCCC(=O)OCC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 802.67
    • Carbowax: 1030.71

  • Odor profile

    Fruity 96.31%
    Sweet 80.9%
    Ethereal 74.98%
    Pineapple 71.15%
    Apple 64.12%
    Banana 61.05%
    Rummy 58.04%
    Green 54.75%
    Winey 48.07%
    Pear 46.41%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.35 (weak base)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -135 °F (USCG, 1999)
    • -97 °C
    • -93.3 °C

    Boiling point

    • 250 °F at 760 mmHg (USCG, 1999)
    • 120-121 °C
    • 120.00 to 121.00 °C. @ 760.00 mm Hg

    Flash point est.
    21.52 ˚C

    Flash point expt.

    • 75 °F (USCG, 1999)
    • 75 °F (24 °C) Closed cup

    Solubility expt.

    • In water, 4.9X10+3 mg/L at 20 °C
    • Soluble in about 150 parts water
    • Slightly soluble in carbon tetrachloride; soluble in ethanol, ethyl ether
    • Miscible with alcohol, ether
    • 4.9 mg/mL at 20 °C
    • Soluble in fixed oils and propylene glycol, insoluble in glycerol
    • 1ml in 3ml 60% ethanol (in ethanol)

  • Synonyms

    • ETHYL BUTYRATE
    • Ethyl butanoate
    • 105-54-4
    • Butyric acid ethyl ester
    • Ethyl n-butyrate
    • Butanoic acid, ethyl ester
    • Ethyl n-butanoate
    • Butyric ester
    • Butyric ether
    • Butanoic acid ethyl ester
    • Butyric acid, ethyl ester
    • FEMA No. 2427
    • FEMA Number 2427
    • Ethyl 1-butyrate
    • Ethyl butyrate (natural)
    • n-Butyric acid ethyl ester
    • NSC 8857
    • CCRIS 6554
    • HSDB 406
    • UNII-UFD2LZ005D
    • EINECS 203-306-4
    • UFD2LZ005D
    • Ethyl ester of butanoic acid
    • MFCD00009394
    • BRN 0506331
    • DTXSID6040111
    • CHEBI:88764
    • AI3-18427
    • NSC-8857
    • DTXCID4020111
    • 4-02-00-00787 (Beilstein Handbook Reference)
    • UN1180
    • UN 1180
    • Ethyl butyrate, 99%
    • Butyric acid-ethyl ester
    • SCHEMBL6115
    • ETHYL BUTYRATE [MI]
    • ETHYL BUTYRATE [FCC]
    • WLN: 3VO2
    • CHEMBL44800
    • ETHYL BUTYRATE [FHFI]
    • ETHYL N-BUTYRATE [HSDB]
    • FEMA 2427
    • NSC8857
    • Ethyl butyrate, analytical standard
    • Tox21_300065
    • LMFA07010874
    • Ethyl butyrate, >=98%, FCC, FG
    • AKOS008948342
    • NCGC00247893-01
    • NCGC00253968-01
    • CAS-105-54-4
    • FE156672
    • B0759
    • Ethyl butyrate, natural, >=98%, FCC, FG
    • NS00012380
    • EN300-54773
    • Ethyl butyrate [UN1180] [Flammable liquid]
    • Q412270
    • F0001-0107
    • InChI=1/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H
    • 203-306-4

  • Applications

    Ethyl butyrate (CAS 105-54-4) is a highly volatile ester of butyric acid and ethanol whose vivid tropical-fruit aroma makes it a key flavoring agent for juices, candies, drinking yogurts, ice creams, wines, sports drinks and the pineapple, apple, mango, lemon and orange notes in chewing gum; because it blends readily with ethanol, edible oils and essential oils, it is also employed as an intermediate solvent in the manufacture of nitrocellulose lacquers, printing inks, wood varnishes, automotive coatings, adhesives and ink-jet formulations; in cosmetics, ethyl butyrate supplies a bright, uplifting top note to perfumes, creams, lipsticks and shampoos while masking off-flavors from natural actives; the pharmaceutical sector uses it as an excipient to improve palatability in antibiotic syrups, cough medicines and multivitamin preparations; in agriculture and animal feed it is added to stimulate appetite in livestock, poultry and aquaculture; scientific research exploits it as a GC or LC-MS analytical standard, a flavor simulator and a sensory formulation tool, and it even appears in biofuel tuning thanks to its octane-boosting, emission-reducing properties; finally, its intense yet safe odor allows ethyl butyrate to serve as an olfactory marker in clinical smell tests.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2949.09
    methanol 4092.97
    isopropanol 2332.45
    water 14.92
    ethyl acetate 1536.07
    n-propanol 2159.1
    acetone 2619.41
    n-butanol 1856.85
    acetonitrile 3483.93
    DMF 3094.16
    toluene 750.03
    isobutanol 1492.29
    1,4-dioxane 2644.53
    methyl acetate 1566.07
    THF 2960.25
    2-butanone 1705.43
    n-pentanol 1415.2
    sec-butanol 1903.82
    n-hexane 599.79
    ethylene glycol 680.11
    NMP 2948.28
    cyclohexane 828.12
    DMSO 2873.88
    n-butyl acetate 1311.94
    n-octanol 1089.64
    chloroform 6341.78
    n-propyl acetate 1099.43
    acetic acid 4435.13
    dichloromethane 5884.53
    cyclohexanone 2641.91
    propylene glycol 875.17
    isopropyl acetate 874.89
    DMAc 2089.7
    2-ethoxyethanol 1394.28
    isopentanol 1251.63
    n-heptane 352.61
    ethyl formate 1475.13
    1,2-dichloroethane 2599.67
    n-hexanol 1402.4
    2-methoxyethanol 2371.52
    isobutyl acetate 598.07
    tetrachloromethane 919.69
    n-pentyl acetate 958.68
    transcutol 2945.01
    n-heptanol 667.65
    ethylbenzene 566.53
    MIBK 715.8
    2-propoxyethanol 1549.05
    tert-butanol 2098.37
    MTBE 1190.85
    2-butoxyethanol 874.12
    propionic acid 2307.01
    o-xylene 507.19
    formic acid 1228.94
    diethyl ether 1484.66
    m-xylene 465.68
    p-xylene 846.01
    chlorobenzene 1686.61
    dimethyl carbonate 531.82
    n-octane 159.96
    formamide 1301.82
    cyclopentanone 2648.66
    2-pentanone 1392.19
    anisole 986.45
    cyclopentyl methyl ether 1347.87
    gamma-butyrolactone 3176.13
    1-methoxy-2-propanol 1656.42
    pyridine 2674.2
    3-pentanone 1028.14
    furfural 2906.79
    n-dodecane 133.4
    diethylene glycol 1089.77
    diisopropyl ether 410.19
    tert-amyl alcohol 1663.43
    acetylacetone 1341.43
    n-hexadecane 149.34
    acetophenone 1016.06
    methyl propionate 1171.02
    isopentyl acetate 975.04
    trichloroethylene 5138.25
    n-nonanol 829.41
    cyclohexanol 1798.82
    benzyl alcohol 964.25
    2-ethylhexanol 832.53
    isooctanol 505.89
    dipropyl ether 877.16
    1,2-dichlorobenzene 1444.1
    ethyl lactate 537.41
    propylene carbonate 1816.19
    n-methylformamide 2035.41
    2-pentanol 1186.89
    n-pentane 460.63
    1-propoxy-2-propanol 1154.16
    1-methoxy-2-propyl acetate 830.6
    2-(2-methoxypropoxy) propanol 824.73
    mesitylene 341.49
    ε-caprolactone 2239.89
    p-cymene 382.9
    epichlorohydrin 2790.13
    1,1,1-trichloroethane 2469.56
    2-aminoethanol 1235.67
    morpholine-4-carbaldehyde 2317.85
    sulfolane 3392.03
    2,2,4-trimethylpentane 190.62
    2-methyltetrahydrofuran 2223.34
    n-hexyl acetate 1695.9
    isooctane 136.63
    2-(2-butoxyethoxy)ethanol 1142.28
    sec-butyl acetate 605.13
    tert-butyl acetate 811.67
    decalin 294.73
    glycerin 1015.94
    diglyme 1926.11
    acrylic acid 2166.57
    isopropyl myristate 536.42
    n-butyric acid 2513.58
    acetyl acetate 970.07
    di(2-ethylhexyl) phthalate 491.49
    ethyl propionate 912.14
    nitromethane 4606.69
    1,2-diethoxyethane 1112.49
    benzonitrile 1821.93
    trioctyl phosphate 394.89
    1-bromopropane 1890.64
    gamma-valerolactone 3055.69
    n-decanol 574.65
    triethyl phosphate 428.46
    4-methyl-2-pentanol 561.15
    propionitrile 2127.55
    vinylene carbonate 1942.72
    1,1,2-trichlorotrifluoroethane 2086.91
    DMS 855.5
    cumene 424.62
    2-octanol 617.99
    2-hexanone 1174.26
    octyl acetate 727.92
    limonene 608.15
    1,2-dimethoxyethane 2281.67
    ethyl orthosilicate 383.42
    tributyl phosphate 515.39
    diacetone alcohol 901.53
    N,N-dimethylaniline 731.48
    acrylonitrile 2660.83
    aniline 1080.82
    1,3-propanediol 1526.87
    bromobenzene 1796.57
    dibromomethane 3842.99
    1,1,2,2-tetrachloroethane 3740.55
    2-methyl-cyclohexyl acetate 705.37
    tetrabutyl urea 658.0
    diisobutyl methanol 409.86
    2-phenylethanol 818.28
    styrene 802.49
    dioctyl adipate 773.44
    dimethyl sulfate 850.3
    ethyl butyrate 895.56
    methyl lactate 672.81
    butyl lactate 742.96
    diethyl carbonate 675.03
    propanediol butyl ether 1077.87
    triethyl orthoformate 583.76
    p-tert-butyltoluene 355.02
    methyl 4-tert-butylbenzoate 818.44
    morpholine 2838.0
    tert-butylamine 1461.89
    n-dodecanol 423.54
    dimethoxymethane 1424.14
    ethylene carbonate 1468.99
    cyrene 662.48
    2-ethoxyethyl acetate 931.07
    2-ethylhexyl acetate 742.51
    1,2,4-trichlorobenzene 1582.3
    4-methylpyridine 2600.67
    dibutyl ether 1082.3
    2,6-dimethyl-4-heptanol 409.86
    DEF 1701.0
    dimethyl isosorbide 1138.24
    tetrachloroethylene 2444.35
    eugenol 852.94
    triacetin 1108.98
    span 80 941.02
    1,4-butanediol 729.19
    1,1-dichloroethane 3012.07
    2-methyl-1-pentanol 1094.67
    methyl formate 1579.73
    2-methyl-1-butanol 1249.86
    n-decane 225.53
    butyronitrile 2303.29
    3,7-dimethyl-1-octanol 808.31
    1-chlorooctane 722.44
    1-chlorotetradecane 281.35
    n-nonane 250.97
    undecane 162.71
    tert-butylcyclohexane 270.72
    cyclooctane 208.43
    cyclopentanol 2009.53
    tetrahydropyran 2647.23
    tert-amyl methyl ether 859.28
    2,5,8-trioxanonane 1289.66
    1-hexene 1383.88
    2-isopropoxyethanol 862.01
    2,2,2-trifluoroethanol 893.55
    methyl butyrate 1424.74

    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
Grapefruit (USA) 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Orange, sweet (USA-California) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Navel, fam. Rutaceae 0.01%
Orange, sweet (USA-Florida) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.01%
Orange, sweet (USA-Florida) 3 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Brazil, fam. Rutaceae 0.01%
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 18.4%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 21.6%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Michelia balansae flower headspace (China) Michelia balansae (A. DC.) Dandy, fam. Magnoliaceae 0.23%
Michelia figo flower headspace (China) Michelia figo (Lour.) Spreng, fam. Magnoliaceae 4.97%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 4.15%
Chaenomeles speciosa (Flowering Quince) Chaenameles speciosa Nakai, fam. Rosaceae 2.57%
Passion fruit (China) 2 Passiflora edulis Sims var. flavicarpa Dengener, fam. Passifloraceae 0.83%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.1%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 1.5%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.41%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 14.8%
Astrocarium vulgare fruit Astrocarium vulgare Mart., fam. Arecaceae 9.0%
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 2.3%
Mango (India) 1a cv. Langra 90063-86-8 Mangifera indica L. cv. Langra, fam. Anacardiaceae 0.1%
Guava fruit (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.1%
Guava fruit headspace (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.5%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%
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 5.5%
Cordia nitida fruit Cordia nitida Vahl., fam. Borraginaceae 40.5%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.1%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 1.1%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 43.0%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 3.48%