Propyl butyrate

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  • Identifiers

    CAS number
    105-66-8

    Molecular formula
    C7H14O2

    SMILES
    CCCC(=O)OCCC

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 897.0
    • Carbowax: 1110.0

  • Odor profile

    Fruity 97.65%
    Sweet 82.0%
    Pineapple 74.82%
    Ethereal 70.76%
    Apple 67.78%
    Banana 64.33%
    Rummy 54.34%
    Tropical 49.2%
    Ripe 47.19%
    Green 46.94%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -95.2 °C

    Boiling point

    • 142.00 to 143.00 °C. @ 760.00 mm Hg

    Flash point est.
    34.74 ˚C

    Solubility expt.

    • 1.62 mg/mL at 17 °C
    • miscible with alcohol, ether; slightly soluble in water

  • Synonyms

    • Propyl butyrate
    • Propyl butanoate
    • 105-66-8
    • Butanoic acid, propyl ester
    • Propyl n-butyrate
    • n-Propyl-n-butanoate
    • 1-Propyl butyrate
    • Butyric acid, propyl ester
    • n-Propyl butyrate
    • n-Propanol butyrate
    • n-Propyl n-butyrate
    • Butyric Acid Propyl Ester
    • n-Butyric acid n-propyl ester
    • FEMA No. 2934
    • Propyl butyrate (natural)
    • Propylester kyseliny maselne
    • Propyl ester of butanoic acid
    • propionyl butyrate
    • n-propyl butanoate
    • EINECS 203-320-0
    • Propylester kyseliny maselne [Czech]
    • UNII-CW590750SQ
    • BRN 1745552
    • AI3-06123
    • CW590750SQ
    • MFCD00009396
    • PROPYL BUTYRATE [MI]
    • PROPYL BUTYRATE [FHFI]
    • DTXSID6059318
    • CHEBI:89719
    • 4-02-00-00788 (Beilstein Handbook Reference)
    • WE(3:0/4:0)
    • propyl bytanoate
    • Propyl nbutyrate
    • 1Propyl butyrate
    • Propyl butyrate, 99%
    • 2-methyl-ethyl butyrate
    • Butyric acid-propyl ester
    • Propyl butyrate, >=98%
    • SCHEMBL125157
    • DTXCID3032915
    • LMFA07010417
    • STL453683
    • AKOS008947738
    • Propyl butyrate, natural, >=95%, FG
    • LS-13335
    • DB-040646
    • B0764
    • NS00013162
    • Q408216
    • 203-320-0

  • Applications

    Propyl butyrate (propyl butanoate, CAS 105-66-8) is a fruity, sweet-smelling ester widely employed as a flavour and fragrance ingredient in foods, beverages, confectionery, ice cream, dairy products, tobacco flavourings, syrups and soft drinks, and it is equally valued in perfumery and cosmetics for imparting banana, pear, pineapple, peach and rum nuances; with moderate volatility and a pleasant odour profile, the compound also serves as a bio-based solvent for inks, coatings, cleaners, adhesives, polishes and pharmaceuticals, enabling formulators to lower the levels of harsher solvents in green formulations; furthermore, propyl butyrate functions as an intermediate in the synthesis of aroma chemicals, agrochemicals and plastic additives, and its favourable biodegradability is making it increasingly attractive for sustainable cosmetic and chemical technologies.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5596.18
    methanol 7279.88
    isopropanol 4921.19
    water 10.75
    ethyl acetate 2444.11
    n-propanol 4345.62
    acetone 4645.51
    n-butanol 3835.02
    acetonitrile 4439.05
    DMF 5281.62
    toluene 1259.38
    isobutanol 3308.32
    1,4-dioxane 4079.57
    methyl acetate 2373.21
    THF 4448.62
    2-butanone 3053.5
    n-pentanol 2905.64
    sec-butanol 4160.1
    n-hexane 1268.7
    ethylene glycol 1023.75
    NMP 3874.6
    cyclohexane 1486.26
    DMSO 4091.64
    n-butyl acetate 2693.62
    n-octanol 1956.78
    chloroform 10028.61
    n-propyl acetate 1872.52
    acetic acid 6734.17
    dichloromethane 7961.48
    cyclohexanone 4538.26
    propylene glycol 1476.95
    isopropyl acetate 1471.2
    DMAc 3284.48
    2-ethoxyethanol 2397.59
    isopentanol 3014.87
    n-heptane 629.34
    ethyl formate 2394.22
    1,2-dichloroethane 4057.87
    n-hexanol 3014.94
    2-methoxyethanol 3959.23
    isobutyl acetate 1154.27
    tetrachloromethane 1583.26
    n-pentyl acetate 1693.76
    transcutol 4834.1
    n-heptanol 1388.6
    ethylbenzene 1002.96
    MIBK 1357.7
    2-propoxyethanol 2950.3
    tert-butanol 4594.51
    MTBE 2847.76
    2-butoxyethanol 1783.89
    propionic acid 3608.36
    o-xylene 862.13
    formic acid 1703.14
    diethyl ether 2618.17
    m-xylene 809.23
    p-xylene 1504.86
    chlorobenzene 2603.09
    dimethyl carbonate 725.07
    n-octane 279.01
    formamide 1759.25
    cyclopentanone 4220.25
    2-pentanone 2422.44
    anisole 1634.27
    cyclopentyl methyl ether 2279.18
    gamma-butyrolactone 4445.35
    1-methoxy-2-propanol 2807.59
    pyridine 4400.76
    3-pentanone 1715.71
    furfural 3942.43
    n-dodecane 225.91
    diethylene glycol 1796.66
    diisopropyl ether 753.86
    tert-amyl alcohol 3883.89
    acetylacetone 2036.22
    n-hexadecane 253.95
    acetophenone 1613.61
    methyl propionate 1792.63
    isopentyl acetate 2138.08
    trichloroethylene 7798.07
    n-nonanol 1472.56
    cyclohexanol 3440.04
    benzyl alcohol 1634.35
    2-ethylhexanol 1784.09
    isooctanol 1101.62
    dipropyl ether 1612.89
    1,2-dichlorobenzene 2094.91
    ethyl lactate 820.63
    propylene carbonate 2651.49
    n-methylformamide 3167.08
    2-pentanol 2655.85
    n-pentane 883.93
    1-propoxy-2-propanol 2316.88
    1-methoxy-2-propyl acetate 1359.66
    2-(2-methoxypropoxy) propanol 1302.59
    mesitylene 567.15
    ε-caprolactone 3595.14
    p-cymene 664.03
    epichlorohydrin 4228.76
    1,1,1-trichloroethane 4179.17
    2-aminoethanol 2080.82
    morpholine-4-carbaldehyde 3221.93
    sulfolane 4565.08
    2,2,4-trimethylpentane 364.85
    2-methyltetrahydrofuran 3894.71
    n-hexyl acetate 2653.28
    isooctane 264.8
    2-(2-butoxyethoxy)ethanol 1829.85
    sec-butyl acetate 1134.18
    tert-butyl acetate 1414.06
    decalin 533.28
    glycerin 1575.74
    diglyme 3131.47
    acrylic acid 3283.95
    isopropyl myristate 861.77
    n-butyric acid 4577.3
    acetyl acetate 1509.8
    di(2-ethylhexyl) phthalate 751.69
    ethyl propionate 1454.01
    nitromethane 5932.29
    1,2-diethoxyethane 1978.63
    benzonitrile 2891.4
    trioctyl phosphate 626.45
    1-bromopropane 3269.73
    gamma-valerolactone 4549.82
    n-decanol 1009.44
    triethyl phosphate 666.15
    4-methyl-2-pentanol 1260.63
    propionitrile 3403.42
    vinylene carbonate 2616.48
    1,1,2-trichlorotrifluoroethane 3355.34
    DMS 1195.59
    cumene 707.8
    2-octanol 1234.89
    2-hexanone 2232.23
    octyl acetate 1153.0
    limonene 1062.02
    1,2-dimethoxyethane 4026.74
    ethyl orthosilicate 654.6
    tributyl phosphate 814.92
    diacetone alcohol 1593.0
    N,N-dimethylaniline 1161.54
    acrylonitrile 3918.69
    aniline 1811.98
    1,3-propanediol 2721.71
    bromobenzene 2800.95
    dibromomethane 5709.02
    1,1,2,2-tetrachloroethane 6328.9
    2-methyl-cyclohexyl acetate 1170.85
    tetrabutyl urea 987.36
    diisobutyl methanol 868.47
    2-phenylethanol 1454.33
    styrene 1413.18
    dioctyl adipate 1171.32
    dimethyl sulfate 1112.1
    ethyl butyrate 1568.43
    methyl lactate 1004.91
    butyl lactate 1287.14
    diethyl carbonate 1083.09
    propanediol butyl ether 1991.72
    triethyl orthoformate 1000.45
    p-tert-butyltoluene 603.45
    methyl 4-tert-butylbenzoate 1294.09
    morpholine 4838.83
    tert-butylamine 3372.96
    n-dodecanol 754.02
    dimethoxymethane 1967.16
    ethylene carbonate 2186.56
    cyrene 987.66
    2-ethoxyethyl acetate 1423.8
    2-ethylhexyl acetate 1570.62
    1,2,4-trichlorobenzene 2190.19
    4-methylpyridine 4406.53
    dibutyl ether 1927.56
    2,6-dimethyl-4-heptanol 868.47
    DEF 2965.08
    dimethyl isosorbide 1643.4
    tetrachloroethylene 4358.95
    eugenol 1322.6
    triacetin 1514.87
    span 80 1546.65
    1,4-butanediol 1346.3
    1,1-dichloroethane 5211.14
    2-methyl-1-pentanol 2471.22
    methyl formate 2324.1
    2-methyl-1-butanol 2914.25
    n-decane 410.62
    butyronitrile 4225.0
    3,7-dimethyl-1-octanol 1538.69
    1-chlorooctane 1246.25
    1-chlorotetradecane 456.86
    n-nonane 444.69
    undecane 288.77
    tert-butylcyclohexane 509.64
    cyclooctane 360.05
    cyclopentanol 3572.79
    tetrahydropyran 4746.88
    tert-amyl methyl ether 1859.68
    2,5,8-trioxanonane 1922.73
    1-hexene 2876.3
    2-isopropoxyethanol 1615.71
    2,2,2-trifluoroethanol 1348.86
    methyl butyrate 2461.16

    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
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.22%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Tagetes (Rwanda) 1 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 1.0%
Tagetes (France) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.05%
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) 0.5%
Tagetes (Zimbabwe) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.2%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 0.05%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 0.15%