n-Amyl butyrate

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  • Identifiers

    CAS number
    540-18-1

    Molecular formula
    C9H18O2

    SMILES
    CCCCCOC(=O)CCC

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 1093.5
    • Carbowax: 1305.0

  • Odor profile

    Fruity 98.16%
    Sweet 75.11%
    Pineapple 74.24%
    Apple 72.61%
    Banana 65.72%
    Green 57.83%
    Ethereal 55.39%
    Tropical 54.68%
    Ripe 52.09%
    Pear 48.96%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    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

    • 185.00 to 187.00 °C. @ 760.00 mm Hg

    Flash point est.
    65.44 ˚C

    Flash point expt.

    • 135 °F (NFPA, 2010)

    Solubility expt.

    • 0.06 mg/mL at 20 °C
    • soluble in alcohol, ether

  • Synonyms

    • PENTYL BUTYRATE
    • Amyl butyrate
    • Pentyl butanoate
    • 540-18-1
    • n-Amyl butyrate
    • Butanoic acid, pentyl ester
    • 1-Pentyl butyrate
    • Amyl butanoate
    • n-Pentyl butanoate
    • Butyric acid, pentyl ester
    • n-Pentyl n-butyrate
    • n-Pentyl butyrate
    • Amyl butyrate (natural)
    • FEMA No. 2059
    • Butanoic acid pentyl ester
    • UNII-3Q2JP0VD8J
    • NSC 7935
    • EINECS 208-739-2
    • N-Amyl n-butyrate
    • BRN 1752307
    • DTXSID4041604
    • CHEBI:87684
    • AI3-06124
    • Pentyl butanoate, 9CI
    • N-Amyl butyrate, 8CI
    • NSC-7935
    • AMYL BUTYRATE [FCC]
    • 3Q2JP0VD8J
    • AMYL BUTYRATE [FHFI]
    • N-AMYL BUTYRATE [MI]
    • DTXCID2021604
    • FEMA 2059
    • amylbutyrat
    • Amyl butyric acid
    • Amyl butanoic acid
    • Pentyl butanoic acid
    • MFCD00048850
    • N-Amyl butyric acid
    • Butyric Acid Amyl Ester
    • n-Butyric acid n-amyl ester
    • WLN: 5OV3
    • SCHEMBL117196
    • Amyl butyrate, >=98%, FG
    • CHEMBL3183048
    • NSC7935
    • Tox21_302013
    • LMFA07010989
    • AKOS015903371
    • SFE 5:0/4:0
    • NCGC00255424-01
    • CAS-540-18-1
    • B0755
    • NS00011958
    • Q419484

  • Applications

    Amyl butyrate (also known as pentyl butyrate, CAS 540-18-1) is a fruity ester widely employed in flavour formulation to recreate banana, pear and pineapple notes in candies, beverages, dairy products and tobacco, while its sweet, long-lasting scent makes it a valued ingredient in perfumes, deodorants and cosmetics; on an industrial scale the compound serves as a relatively inert solvent for printing inks, coatings, lacquers and nitrocellulose thinners, acts as a plasticizer that enhances flexibility in vinyl resins and cellulose acetate, and functions as an odour-masking additive in fuels and cleaning agents; in agriculture and healthcare it is used as an attractant for pollinating insects, an internal standard for GC-MS quantitation, a semi-synthetic intermediate for natural flavour concentrates and a model substrate in biocatalytic esterification studies, meeting FCC and IFRA safety specifications for food and personal-care applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11470.71
    methanol 13954.75
    isopropanol 9750.0
    water 1.47
    ethyl acetate 6601.16
    n-propanol 8601.2
    acetone 13010.43
    n-butanol 7749.86
    acetonitrile 8595.68
    DMF 9199.85
    toluene 2334.45
    isobutanol 6772.45
    1,4-dioxane 7613.12
    methyl acetate 4631.79
    THF 9140.81
    2-butanone 6954.38
    n-pentanol 5145.65
    sec-butanol 8015.97
    n-hexane 2711.47
    ethylene glycol 1081.6
    NMP 5976.59
    cyclohexane 2963.89
    DMSO 8671.24
    n-butyl acetate 6275.03
    n-octanol 2254.74
    chloroform 14000.14
    n-propyl acetate 4390.38
    acetic acid 9119.68
    dichloromethane 11827.73
    cyclohexanone 10192.02
    propylene glycol 1748.9
    isopropyl acetate 3799.26
    DMAc 4596.78
    2-ethoxyethanol 3673.16
    isopentanol 6643.71
    n-heptane 872.62
    ethyl formate 3964.1
    1,2-dichloroethane 7810.87
    n-hexanol 5212.33
    2-methoxyethanol 6377.63
    isobutyl acetate 2375.87
    tetrachloromethane 2355.55
    n-pentyl acetate 3194.29
    transcutol 10613.21
    n-heptanol 1849.11
    ethylbenzene 1588.16
    MIBK 3044.83
    2-propoxyethanol 4874.45
    tert-butanol 9573.49
    MTBE 7022.68
    2-butoxyethanol 2533.33
    propionic acid 5540.35
    o-xylene 1343.72
    formic acid 2057.27
    diethyl ether 7467.29
    m-xylene 1378.88
    p-xylene 2200.45
    chlorobenzene 4186.91
    dimethyl carbonate 1031.8
    n-octane 334.92
    formamide 2478.84
    cyclopentanone 8060.57
    2-pentanone 6289.97
    anisole 2399.57
    cyclopentyl methyl ether 5067.65
    gamma-butyrolactone 7577.32
    1-methoxy-2-propanol 4568.28
    pyridine 8447.04
    3-pentanone 3687.02
    furfural 5543.86
    n-dodecane 206.33
    diethylene glycol 2508.93
    diisopropyl ether 1830.8
    tert-amyl alcohol 7473.58
    acetylacetone 4713.08
    n-hexadecane 242.5
    acetophenone 2231.57
    methyl propionate 3521.45
    isopentyl acetate 4676.46
    trichloroethylene 13360.36
    n-nonanol 1819.91
    cyclohexanol 7333.41
    benzyl alcohol 2175.83
    2-ethylhexanol 2947.78
    isooctanol 1522.85
    dipropyl ether 3155.35
    1,2-dichlorobenzene 3165.77
    ethyl lactate 1125.45
    propylene carbonate 3999.96
    n-methylformamide 4927.74
    2-pentanol 5683.58
    n-pentane 1590.94
    1-propoxy-2-propanol 3930.5
    1-methoxy-2-propyl acetate 2788.73
    2-(2-methoxypropoxy) propanol 1890.03
    mesitylene 964.05
    ε-caprolactone 7365.98
    p-cymene 897.91
    epichlorohydrin 7735.37
    1,1,1-trichloroethane 7590.3
    2-aminoethanol 2791.37
    morpholine-4-carbaldehyde 4988.22
    sulfolane 7323.39
    2,2,4-trimethylpentane 511.68
    2-methyltetrahydrofuran 8418.39
    n-hexyl acetate 4128.67
    isooctane 385.88
    2-(2-butoxyethoxy)ethanol 2908.72
    sec-butyl acetate 2543.18
    tert-butyl acetate 3178.84
    decalin 854.25
    glycerin 1751.56
    diglyme 4894.47
    acrylic acid 4251.8
    isopropyl myristate 1198.14
    n-butyric acid 9711.7
    acetyl acetate 3142.94
    di(2-ethylhexyl) phthalate 972.09
    ethyl propionate 3119.62
    nitromethane 9840.67
    1,2-diethoxyethane 4418.32
    benzonitrile 4232.32
    trioctyl phosphate 744.94
    1-bromopropane 6340.17
    gamma-valerolactone 8343.61
    n-decanol 1198.16
    triethyl phosphate 932.1
    4-methyl-2-pentanol 2302.93
    propionitrile 6448.19
    vinylene carbonate 3730.03
    1,1,2-trichlorotrifluoroethane 5281.13
    DMS 1835.67
    cumene 988.21
    2-octanol 1575.72
    2-hexanone 4732.53
    octyl acetate 1567.89
    limonene 1686.02
    1,2-dimethoxyethane 7102.08
    ethyl orthosilicate 987.83
    tributyl phosphate 1062.35
    diacetone alcohol 3020.81
    N,N-dimethylaniline 1537.59
    acrylonitrile 6601.97
    aniline 3278.32
    1,3-propanediol 4070.44
    bromobenzene 4581.11
    dibromomethane 9326.72
    1,1,2,2-tetrachloroethane 10765.16
    2-methyl-cyclohexyl acetate 1891.79
    tetrabutyl urea 1309.67
    diisobutyl methanol 1380.22
    2-phenylethanol 2127.59
    styrene 2364.35
    dioctyl adipate 1540.46
    dimethyl sulfate 1486.46
    ethyl butyrate 2930.57
    methyl lactate 1365.02
    butyl lactate 2022.71
    diethyl carbonate 1599.09
    propanediol butyl ether 2613.51
    triethyl orthoformate 1690.36
    p-tert-butyltoluene 822.56
    methyl 4-tert-butylbenzoate 1614.89
    morpholine 10362.21
    tert-butylamine 6687.43
    n-dodecanol 827.4
    dimethoxymethane 3648.29
    ethylene carbonate 3372.45
    cyrene 1311.96
    2-ethoxyethyl acetate 2780.8
    2-ethylhexyl acetate 3348.46
    1,2,4-trichlorobenzene 3214.66
    4-methylpyridine 7901.64
    dibutyl ether 3507.13
    2,6-dimethyl-4-heptanol 1380.22
    DEF 6231.45
    dimethyl isosorbide 2605.05
    tetrachloroethylene 7307.19
    eugenol 1645.0
    triacetin 2259.79
    span 80 2168.33
    1,4-butanediol 1617.29
    1,1-dichloroethane 9331.8
    2-methyl-1-pentanol 4248.49
    methyl formate 3098.93
    2-methyl-1-butanol 6038.6
    n-decane 427.16
    butyronitrile 8252.18
    3,7-dimethyl-1-octanol 2132.92
    1-chlorooctane 1601.56
    1-chlorotetradecane 500.96
    n-nonane 473.66
    undecane 281.92
    tert-butylcyclohexane 746.26
    cyclooctane 629.26
    cyclopentanol 6221.07
    tetrahydropyran 11495.8
    tert-amyl methyl ether 4080.05
    2,5,8-trioxanonane 2922.57
    1-hexene 6206.12
    2-isopropoxyethanol 2629.14
    2,2,2-trifluoroethanol 1838.42
    methyl butyrate 5148.25

    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
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.03%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 0.62%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.07%