Butyl butyrate

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  • Identifiers

    CAS number
    109-21-7

    Molecular formula
    C8H16O2

    SMILES
    CCCCOC(=O)CCC

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 996.0
    • Carbowax: 1208.0

  • Odor profile

    Fruity 97.67%
    Sweet 79.6%
    Pineapple 75.33%
    Apple 69.9%
    Banana 66.2%
    Green 64.23%
    Ethereal 62.12%
    Tropical 55.15%
    Ripe 52.42%
    Pear 49.16%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -133 °F (USCG, 1999)
    • -91.5 °C
    • -133 °F

    Boiling point

    • 332 °F at 760 mmHg (USCG, 1999)
    • 166.00 °C. @ 760.00 mm Hg
    • 332 °F

    Flash point est.
    51.01 ˚C

    Flash point expt.

    • 128 °F (USCG, 1999)
    • 128 °F

    Solubility expt.

    • 0.5 mg/mL at 20 °C
    • miscible with alcohol, ether, most vegetable oils; slightly soluble in propylene glycol, water
    • 1 ml in 3 ml 70% alcohol (in ethanol)

  • Synonyms

    • Butyl butyrate
    • 109-21-7
    • Butyl butanoate
    • n-Butyl butyrate
    • Butanoic acid, butyl ester
    • Butyric Acid Butyl Ester
    • n-Butyl butanoate
    • 1-Butyl butyrate
    • N-BUTYL N-BUTYRATE
    • Butyl butylate
    • Butyric acid, butyl ester
    • Butyl n-butyrate
    • Butylbutyrate
    • Butyl butyrate (natural)
    • Butyric acid n-butyl ester
    • n-Butyl n-butanoate
    • FEMA No. 2186
    • CCRIS 6551
    • butryl butyrate
    • n-BUTYL-n-BUTYRATE
    • NSC 8458
    • EINECS 203-656-8
    • UNII-1BHV00T1M4
    • Butyl ester of butanoic acid
    • n-Butyric acid n-butyl ester
    • BRN 1747101
    • AI3-06125
    • N-BUTYL-BUTYRATE
    • n-butyric n-butyl ester
    • NSC-8458
    • BUTYL BUTYRATE [FCC]
    • BUTYL BUTYRATE [FHFI]
    • 1BHV00T1M4
    • DTXSID7041702
    • CHEBI:87429
    • N-BUTYL N-BUTYRATE [MI]
    • 4-02-00-00789 (Beilstein Handbook Reference)
    • WE(4:0/4:0)
    • butanoic acid butyl ester
    • butylbutanoate
    • nButyl butyrate
    • nButyl butanoate
    • 1Butyl butyrate
    • MFCD00009450
    • Butyl butyrate, 98%
    • Butyric acid-butyl ester
    • WLN: 4OV3
    • SCHEMBL113994
    • DTXCID5021702
    • FEMA 2186
    • NSC8458
    • Butyl butyrate, analytical standard
    • AAA10921
    • LMFA07010418
    • Butyl butyrate, >=98%, FCC, FG
    • AKOS009165857
    • LS-13508
    • DB-003606
    • B0757
    • Butyl butyrate, natural, >=98%, FCC, FG
    • NS00012028
    • EN300-52980
    • A801979
    • Q2212471
    • 203-656-8

  • Applications

    Butyl butyrate (CAS 109-21-7) is a naturally occurring ester with a characteristic pineapple-banana aroma, widely employed as an FCC-grade flavor additive for candies, beverages, dairy desserts and baked goods; in perfumery and personal-care formulations it imparts a light tropical note and serves as a masking agent for undesirable solvent odors; in paints, inks, varnishes and adhesives the colorless liquid functions as a medium-evaporation solvent that enhances flow, leveling and gloss; pharmaceutical and OTC products use it as an excipient for taste-masking and enteric coating dispersion; flavor-fragrance laboratories rely on it as a GC-MS reference compound and as an insect attractant in ecological field studies; furthermore, butyl butyrate is being evaluated as a bio-gasoline blend component thanks to its high energy density, favorable cetane index and sustainable biomass origin, while meeting EU 1334/2008 and IFRA safety guidelines.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9443.98
    methanol 10388.63
    isopropanol 8483.72
    water 3.89
    ethyl acetate 4570.08
    n-propanol 7094.1
    acetone 8538.95
    n-butanol 6228.05
    acetonitrile 7260.2
    DMF 7188.22
    toluene 1660.35
    isobutanol 5469.85
    1,4-dioxane 6217.59
    methyl acetate 3633.19
    THF 7600.87
    2-butanone 4935.94
    n-pentanol 4003.5
    sec-butanol 6629.87
    n-hexane 1863.22
    ethylene glycol 1025.75
    NMP 5103.5
    cyclohexane 2576.13
    DMSO 6436.25
    n-butyl acetate 4473.52
    n-octanol 2437.61
    chloroform 13801.28
    n-propyl acetate 3013.2
    acetic acid 9826.43
    dichloromethane 11226.5
    cyclohexanone 7902.85
    propylene glycol 1797.51
    isopropyl acetate 2660.47
    DMAc 3838.77
    2-ethoxyethanol 2972.33
    isopentanol 4825.9
    n-heptane 837.94
    ethyl formate 3453.41
    1,2-dichloroethane 6281.21
    n-hexanol 4251.9
    2-methoxyethanol 5171.28
    isobutyl acetate 1710.4
    tetrachloromethane 2011.43
    n-pentyl acetate 2489.5
    transcutol 7526.29
    n-heptanol 1746.48
    ethylbenzene 1229.63
    MIBK 2151.14
    2-propoxyethanol 3701.25
    tert-butanol 7479.6
    MTBE 4425.91
    2-butoxyethanol 2148.65
    propionic acid 5003.91
    o-xylene 1046.25
    formic acid 1931.56
    diethyl ether 4522.09
    m-xylene 1003.16
    p-xylene 1827.96
    chlorobenzene 3690.96
    dimethyl carbonate 903.71
    n-octane 360.15
    formamide 2198.2
    cyclopentanone 6636.96
    2-pentanone 4267.08
    anisole 2042.94
    cyclopentyl methyl ether 3605.42
    gamma-butyrolactone 6921.11
    1-methoxy-2-propanol 3752.22
    pyridine 7008.48
    3-pentanone 2606.95
    furfural 5202.94
    n-dodecane 252.55
    diethylene glycol 2033.58
    diisopropyl ether 1205.47
    tert-amyl alcohol 5827.94
    acetylacetone 3516.68
    n-hexadecane 286.12
    acetophenone 1933.92
    methyl propionate 2709.79
    isopentyl acetate 3345.7
    trichloroethylene 11469.89
    n-nonanol 1888.91
    cyclohexanol 6018.38
    benzyl alcohol 1915.44
    2-ethylhexanol 2453.32
    isooctanol 1384.04
    dipropyl ether 2432.45
    1,2-dichlorobenzene 2764.83
    ethyl lactate 985.95
    propylene carbonate 3810.82
    n-methylformamide 4318.37
    2-pentanol 4436.84
    n-pentane 1247.99
    1-propoxy-2-propanol 3228.59
    1-methoxy-2-propyl acetate 1978.26
    2-(2-methoxypropoxy) propanol 1606.63
    mesitylene 714.3
    ε-caprolactone 5873.09
    p-cymene 765.66
    epichlorohydrin 6504.81
    1,1,1-trichloroethane 6404.03
    2-aminoethanol 2533.77
    morpholine-4-carbaldehyde 4114.16
    sulfolane 6625.1
    2,2,4-trimethylpentane 419.31
    2-methyltetrahydrofuran 6753.64
    n-hexyl acetate 3783.34
    isooctane 320.84
    2-(2-butoxyethoxy)ethanol 2401.64
    sec-butyl acetate 1734.02
    tert-butyl acetate 2306.92
    decalin 696.18
    glycerin 1675.22
    diglyme 4036.22
    acrylic acid 4132.01
    isopropyl myristate 1149.92
    n-butyric acid 8403.74
    acetyl acetate 2463.69
    di(2-ethylhexyl) phthalate 897.62
    ethyl propionate 2187.06
    nitromethane 8740.81
    1,2-diethoxyethane 3008.33
    benzonitrile 3841.92
    trioctyl phosphate 740.86
    1-bromopropane 4817.99
    gamma-valerolactone 6926.51
    n-decanol 1252.55
    triethyl phosphate 808.58
    4-methyl-2-pentanol 1794.07
    propionitrile 5387.9
    vinylene carbonate 3590.74
    1,1,2-trichlorotrifluoroethane 4492.13
    DMS 1511.31
    cumene 805.19
    2-octanol 1570.51
    2-hexanone 3229.74
    octyl acetate 1525.77
    limonene 1377.51
    1,2-dimethoxyethane 5342.06
    ethyl orthosilicate 795.65
    tributyl phosphate 987.66
    diacetone alcohol 2351.53
    N,N-dimethylaniline 1303.35
    acrylonitrile 5881.59
    aniline 2567.97
    1,3-propanediol 3608.08
    bromobenzene 3937.44
    dibromomethane 8410.93
    1,1,2,2-tetrachloroethane 9208.72
    2-methyl-cyclohexyl acetate 1508.17
    tetrabutyl urea 1236.96
    diisobutyl methanol 1160.28
    2-phenylethanol 1764.36
    styrene 1804.33
    dioctyl adipate 1519.09
    dimethyl sulfate 1332.57
    ethyl butyrate 2271.15
    methyl lactate 1241.65
    butyl lactate 1689.53
    diethyl carbonate 1385.63
    propanediol butyl ether 2463.43
    triethyl orthoformate 1371.9
    p-tert-butyltoluene 710.71
    methyl 4-tert-butylbenzoate 1533.61
    morpholine 7972.91
    tert-butylamine 5147.09
    n-dodecanol 901.23
    dimethoxymethane 2739.39
    ethylene carbonate 3199.36
    cyrene 1160.9
    2-ethoxyethyl acetate 2063.89
    2-ethylhexyl acetate 2398.37
    1,2,4-trichlorobenzene 2846.44
    4-methylpyridine 6474.41
    dibutyl ether 2939.94
    2,6-dimethyl-4-heptanol 1160.28
    DEF 4336.91
    dimethyl isosorbide 2145.85
    tetrachloroethylene 6004.86
    eugenol 1505.82
    triacetin 2008.42
    span 80 1996.25
    1,4-butanediol 1512.22
    1,1-dichloroethane 8126.7
    2-methyl-1-pentanol 3161.57
    methyl formate 2829.8
    2-methyl-1-butanol 4330.69
    n-decane 492.59
    butyronitrile 7018.94
    3,7-dimethyl-1-octanol 2003.96
    1-chlorooctane 1603.52
    1-chlorotetradecane 540.02
    n-nonane 546.59
    undecane 336.68
    tert-butylcyclohexane 618.45
    cyclooctane 537.76
    cyclopentanol 5673.87
    tetrahydropyran 8236.75
    tert-amyl methyl ether 2696.89
    2,5,8-trioxanonane 2397.32
    1-hexene 4207.69
    2-isopropoxyethanol 2030.69
    2,2,2-trifluoroethanol 1756.45
    methyl butyrate 3765.58

    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
Lavender (France) 2a 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.06%
Myrtle berry (Italy) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Lavender (USA) (var. Loddon pink) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Loddon pink cultivar) 0.11%
Lavender (USA) (var. Jean Davis) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Jean Davis cultivar) 0.26%
Lavender (USA) (var. Rosea) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Rosea cultivar) 0.26%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.02%
Orange, sweet (Japan) (oxygenated compounds) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Fukuhara, fam. Rutaceae 0.1%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.25%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 2.44%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.04%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.03%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 0.1%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.2%
Roman chamomile (Italy) 6 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.85%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Parsnip (Germany) 2d green fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 0.98%
Parsnip (USA) fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 0.6%
Parsnip (Germany) 3a wild fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 0.65%
Parsnip (Germany) 3b cultivated fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 1.6%
Parsnip (Germany) 3c botanic garden fruit 90082-39-6 Pastinava sativa L., fam. Apiaceae (Umbelliferae) 0.1%
Osage orange fruit, 1a headspace Maclura pomifera (Raf.) Schneid, fam. Moraceae 0.3%