Isoamyl butyrate

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  • Identifiers

    CAS number
    106-27-4

    Molecular formula
    C9H18O2

    SMILES
    CCCC(=O)OCCC(C)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 1054.5
    • Carbowax: 1260.25

  • Odor profile

    Fruity 98.26%
    Apple 77.74%
    Sweet 72.48%
    Green 71.82%
    Pineapple 71.37%
    Banana 69.73%
    Ripe 54.47%
    Tropical 52.56%
    Ethereal 51.29%
    Pear 49.55%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -73.2 °C

    Boiling point

    • 179.00 °C. @ 760.00 mm Hg

    Flash point est.
    59.77 ˚C

    Solubility expt.

    • 118 mg/L @ 25 °C (exp)
    • insoluble in water; 50% soluble in heptane or triacetin
    • 50% soluble in ethanol (in ethanol)
    • Soluble in ethanol and most fixed oils, insoluble in glycerol, propylene glycol and water
    • 1ml in 4ml 70% ethanol (in ethanol)

  • Synonyms

    • Isoamyl butyrate
    • Isopentyl butyrate
    • 106-27-4
    • 3-Methylbutyl butanoate
    • Isoamyl butanoate
    • ISOPENTYL BUTANOATE
    • 3-Methylbutyl butyrate
    • Butanoic acid, 3-methylbutyl ester
    • Butyric acid, isopentyl ester
    • Isoamyl-n-butyrate
    • Isopentyl alcohol, butyrate
    • Isoamyl butylate
    • Butyric acid isoamylester
    • FEMA No. 2060
    • Isoamyl butyrate (natural)
    • Isopentyl-n-butyrate
    • 3-Methyl-1-butyl butanoate
    • CCRIS 6556
    • butanoic acid 3-methylbutyl ester
    • NSC 6548
    • EINECS 203-380-8
    • UNII-505AFM77VU
    • iso-Amyl n-butyrate
    • BRN 1702557
    • 505AFM77VU
    • DTXSID3042059
    • CHEBI:87422
    • AI3-06126
    • NSC-6548
    • 3-Methylbutyl n-butyrate
    • butyric acid isopentyl ester
    • WE(4:0(3Me)/4:0)
    • ISOAMYL BUTYRATE [MI]
    • ISOAMYL BUTYRATE [FCC]
    • ISOAMYL BUTYRATE [FHFI]
    • DTXCID1022059
    • Isoamyl n-Butyrate
    • Butyric Acid Isoamyl Ester
    • isoamylbutyrate
    • Isoamyl butyric acid
    • MFCD00044888
    • SCHEMBL112594
    • CHEMBL3187370
    • NSC6548
    • Tox21_300384
    • Isoamyl butyrate, analytical standard
    • LMFA07010574
    • AKOS015907968
    • CS-W016198
    • HY-W015482
    • Isoamyl butyrate, >=98%, FCC, FG
    • NCGC00248015-01
    • NCGC00254545-01
    • CAS-106-27-4
    • LS-13707
    • DB-254948
    • B0760
    • NS00012653
    • E75851
    • Isoamyl butyrate, natural, >=98%, FCC, FG
    • A801410
    • Q49081089

  • Applications

    Isoamyl butyrate (CAS 106-27-4) is a fruity ester used extensively in flavor and fragrance industries to impart banana, pear, peach and tropical nuances in candies, chewing gum, soft drinks, wines and yogurts, while also serving as a refreshing note in lipsticks, creams, soaps and household detergents thanks to its strong diffusion and low-threshold aroma; moreover, it functions as a medium-boiling solvent for inks, coatings and plasticizers, as an analytical reference material in aroma profiling and GC calibration, and as an intermediate for synthesizing higher esters in cosmetic and veterinary formulations, all within FEMA and EU safety guidelines for food additives.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4814.11
    methanol 4450.24
    isopropanol 4407.87
    water 2.26
    ethyl acetate 2386.31
    n-propanol 3399.31
    acetone 4423.12
    n-butanol 3169.49
    acetonitrile 2852.24
    DMF 2777.37
    toluene 692.84
    isobutanol 2823.33
    1,4-dioxane 3503.37
    methyl acetate 1768.56
    THF 5216.18
    2-butanone 2397.54
    n-pentanol 1931.24
    sec-butanol 3355.79
    n-hexane 833.69
    ethylene glycol 466.61
    NMP 2603.33
    cyclohexane 1277.78
    DMSO 2784.62
    n-butyl acetate 2377.51
    n-octanol 1208.76
    chloroform 7441.58
    n-propyl acetate 1443.26
    acetic acid 5011.18
    dichloromethane 4920.09
    cyclohexanone 4505.44
    propylene glycol 1032.68
    isopropyl acetate 1460.95
    DMAc 1688.4
    2-ethoxyethanol 1432.71
    isopentanol 2624.91
    n-heptane 403.1
    ethyl formate 1592.32
    1,2-dichloroethane 2752.35
    n-hexanol 2397.26
    2-methoxyethanol 2648.88
    isobutyl acetate 927.38
    tetrachloromethane 976.0
    n-pentyl acetate 1285.29
    transcutol 4756.19
    n-heptanol 975.49
    ethylbenzene 547.79
    MIBK 1215.11
    2-propoxyethanol 2139.61
    tert-butanol 4451.5
    MTBE 2529.73
    2-butoxyethanol 1228.51
    propionic acid 2523.57
    o-xylene 504.57
    formic acid 914.89
    diethyl ether 2100.57
    m-xylene 505.59
    p-xylene 845.39
    chlorobenzene 1624.43
    dimethyl carbonate 406.13
    n-octane 154.18
    formamide 945.58
    cyclopentanone 3865.59
    2-pentanone 2197.01
    anisole 972.36
    cyclopentyl methyl ether 2075.4
    gamma-butyrolactone 3909.36
    1-methoxy-2-propanol 2040.66
    pyridine 2988.48
    3-pentanone 1238.99
    furfural 2761.37
    n-dodecane 120.64
    diethylene glycol 1154.93
    diisopropyl ether 692.42
    tert-amyl alcohol 3292.2
    acetylacetone 1866.54
    n-hexadecane 137.2
    acetophenone 970.97
    methyl propionate 1270.64
    isopentyl acetate 1989.04
    trichloroethylene 5690.11
    n-nonanol 974.41
    cyclohexanol 3265.26
    benzyl alcohol 942.33
    2-ethylhexanol 1364.54
    isooctanol 777.4
    dipropyl ether 1272.47
    1,2-dichlorobenzene 1377.66
    ethyl lactate 543.11
    propylene carbonate 2350.51
    n-methylformamide 1536.37
    2-pentanol 2326.68
    n-pentane 527.7
    1-propoxy-2-propanol 1828.93
    1-methoxy-2-propyl acetate 1300.36
    2-(2-methoxypropoxy) propanol 1070.46
    mesitylene 388.41
    ε-caprolactone 3303.35
    p-cymene 418.24
    epichlorohydrin 3518.17
    1,1,1-trichloroethane 3490.08
    2-aminoethanol 1200.65
    morpholine-4-carbaldehyde 2215.3
    sulfolane 3612.57
    2,2,4-trimethylpentane 234.47
    2-methyltetrahydrofuran 4030.19
    n-hexyl acetate 2014.23
    isooctane 190.34
    2-(2-butoxyethoxy)ethanol 1574.58
    sec-butyl acetate 945.99
    tert-butyl acetate 1384.95
    decalin 370.94
    glycerin 987.65
    diglyme 2340.85
    acrylic acid 1870.56
    isopropyl myristate 670.66
    n-butyric acid 4610.39
    acetyl acetate 1341.53
    di(2-ethylhexyl) phthalate 552.81
    ethyl propionate 1038.35
    nitromethane 4106.32
    1,2-diethoxyethane 1571.9
    benzonitrile 1709.31
    trioctyl phosphate 447.39
    1-bromopropane 2089.86
    gamma-valerolactone 3920.22
    n-decanol 674.55
    triethyl phosphate 470.03
    4-methyl-2-pentanol 1044.15
    propionitrile 2119.76
    vinylene carbonate 1965.03
    1,1,2-trichlorotrifluoroethane 2527.29
    DMS 839.22
    cumene 407.78
    2-octanol 823.99
    2-hexanone 1659.55
    octyl acetate 869.12
    limonene 805.04
    1,2-dimethoxyethane 2601.47
    ethyl orthosilicate 470.27
    tributyl phosphate 588.3
    diacetone alcohol 1526.97
    N,N-dimethylaniline 631.96
    acrylonitrile 2052.08
    aniline 1215.37
    1,3-propanediol 1941.16
    bromobenzene 1692.45
    dibromomethane 3845.54
    1,1,2,2-tetrachloroethane 4969.85
    2-methyl-cyclohexyl acetate 985.5
    tetrabutyl urea 678.96
    diisobutyl methanol 731.42
    2-phenylethanol 1058.45
    styrene 705.26
    dioctyl adipate 913.38
    dimethyl sulfate 623.11
    ethyl butyrate 1256.29
    methyl lactate 663.62
    butyl lactate 976.4
    diethyl carbonate 773.8
    propanediol butyl ether 1452.02
    triethyl orthoformate 790.1
    p-tert-butyltoluene 411.64
    methyl 4-tert-butylbenzoate 889.76
    morpholine 4403.69
    tert-butylamine 2741.38
    n-dodecanol 500.54
    dimethoxymethane 1242.94
    ethylene carbonate 1791.02
    cyrene 784.38
    2-ethoxyethyl acetate 1150.2
    2-ethylhexyl acetate 1425.22
    1,2,4-trichlorobenzene 1587.92
    4-methylpyridine 2718.74
    dibutyl ether 1401.63
    2,6-dimethyl-4-heptanol 731.42
    DEF 1946.35
    dimethyl isosorbide 1532.25
    tetrachloroethylene 3047.76
    eugenol 862.79
    triacetin 1201.51
    span 80 1343.47
    1,4-butanediol 700.96
    1,1-dichloroethane 3801.77
    2-methyl-1-pentanol 1617.56
    methyl formate 1092.3
    2-methyl-1-butanol 2339.89
    n-decane 221.67
    butyronitrile 3041.93
    3,7-dimethyl-1-octanol 1111.11
    1-chlorooctane 783.45
    1-chlorotetradecane 286.4
    n-nonane 233.63
    undecane 157.51
    tert-butylcyclohexane 338.6
    cyclooctane 267.39
    cyclopentanol 3088.61
    tetrahydropyran 4762.53
    tert-amyl methyl ether 1475.94
    2,5,8-trioxanonane 1495.7
    1-hexene 1850.82
    2-isopropoxyethanol 1059.65
    2,2,2-trifluoroethanol 985.85
    methyl butyrate 1707.77

    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 (Italy) 3 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 2.6%
Roman chamomile (Italy) 2 (headspace) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 3.4%
Pistacia lentiscus (Spain) 1a leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.12%
Pistacia lentiscus (Spain) 1b unripe fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.21%
Pistacia lentiscus (Spain) 1c ripe fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.3%
Pistacia lentiscus fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.2%
Pistacia lentiscus (Israel) 1b leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 1.12%
Pistacia lentiscus (Israel) 1a fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.58%
Gingergrass (India) 5 Cymbopogon martini Stapf., var. sofia, fam. Poaceae (Gramineae) 0.08%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 0.2%
Pistacia lentiscus (Spain) 3 whole plant 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.2%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.04%
Hyptis crenata (Brazil) Hyptis crenata Pohl ex Benth, fam. Lamiaceae (Labiatae) 0.1%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.3%
Eucalyptus tereticornis (Cuba) Eucalyptus tereticornis Smith, fam. Myrtaceae 0.01%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 0.05%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 15.6%