Propyl 2-ethylbutanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5129-46-4

    Molecular formula
    C9H18O2

    SMILES
    CCCOC(=O)C(CC)CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 95.88%
    Apple 64.72%
    Herbal 45.67%
    Sweet 44.72%
    Pineapple 42.03%
    Fatty 39.87%
    Winey 38.45%
    Oily 37.51%
    Ethereal 36.11%
    Banana 34.42%

     

    Flavor
    Fruity 89.76%
    Green 64.78%
    Sweet 61.75%
    Apple 60.7%
    Pineapple 48.1%
    Berry 46.35%
    Tropical 44.84%
    Waxy 44.69%
    Fruit 40.3%
    Pear 38.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.65 (weak base)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    172°C

    Flash point

    • 61.15 ˚C est.

  • Synonyms

    • Propyl 2-ethylbutanoate
    • 5129-46-4
    • Butanoic acid, 2-ethyl, propyl ester
    • DTXSID60965580
    • RefChem:176466
    • DTXCID201393246
    • KFDSUDXOCFQKIN-UHFFFAOYSA-N
    • PROPYL-2-ETHYLBUTANOATE
    • SCHEMBL2960665
    • SCHEMBL6116669
    • N-PROPYL 2-ETHYLBUTYRATE
    • NSC20006
    • MFCD00048691
    • NSC-20006
    • AKOS009157673
    • 5129-46-4

  • Applications

    Propyl 2-ethylbutanoate (CAS 5129-46-4) is primarily used as an odorant in fragrance and cosmetic applications, contributing fruity or green notes in perfumes and personal care products. It may be evaluated or used as a flavor/aroma ingredient in food processing and beverage development. In industrial settings, it can serve as a solvent or processing aid in formulation systems and is also used as a chemical intermediate in the synthesis of aroma-related compounds. Additionally, it may appear in household products as a fragrance component to impart its characteristic aroma.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7751.43
    methanol 8220.85
    isopropanol 7770.92
    water 7.3
    ethyl acetate 5364.1
    n-propanol 7274.17
    acetone 8496.52
    n-butanol 6634.93
    acetonitrile 10083.39
    DMF 6777.05
    toluene 3158.01
    isobutanol 6405.09
    1,4-dioxane 8028.84
    methyl acetate 4939.89
    THF 8140.82
    2-butanone 6524.59
    n-pentanol 4849.1
    sec-butanol 7770.49
    n-hexane 2749.37
    ethylene glycol 785.39
    NMP 6094.63
    cyclohexane 4075.94
    DMSO 4541.31
    n-butyl acetate 6163.32
    n-octanol 3190.24
    chloroform 25149.42
    n-propyl acetate 4122.98
    acetic acid 7486.06
    dichloromethane 19230.06
    cyclohexanone 11185.03
    propylene glycol 1424.37
    isopropyl acetate 3074.87
    DMAc 4392.5
    2-ethoxyethanol 3567.85
    isopentanol 5709.94
    n-heptane 1241.43
    ethyl formate 4859.33
    1,2-dichloroethane 10450.35
    n-hexanol 4859.82
    2-methoxyethanol 5124.41
    isobutyl acetate 2412.91
    tetrachloromethane 4817.38
    n-pentyl acetate 3977.16
    transcutol 6388.3
    n-heptanol 2576.01
    ethylbenzene 2198.72
    MIBK 2701.36
    2-propoxyethanol 4297.45
    tert-butanol 7482.2
    MTBE 6333.1
    2-butoxyethanol 2918.37
    propionic acid 5497.69
    o-xylene 1888.4
    formic acid 1681.09
    diethyl ether 5903.8
    m-xylene 1793.25
    p-xylene 3298.37
    chlorobenzene 6915.47
    dimethyl carbonate 1253.57
    n-octane 640.54
    formamide 2397.33
    cyclopentanone 8503.14
    2-pentanone 5172.3
    anisole 3250.25
    cyclopentyl methyl ether 4617.11
    gamma-butyrolactone 9093.45
    1-methoxy-2-propanol 3556.75
    pyridine 10525.18
    3-pentanone 3748.12
    furfural 7249.8
    n-dodecane 395.3
    diethylene glycol 2004.51
    diisopropyl ether 1742.76
    tert-amyl alcohol 6843.17
    acetylacetone 3700.01
    n-hexadecane 458.56
    acetophenone 2951.74
    methyl propionate 3333.26
    isopentyl acetate 4739.7
    trichloroethylene 19630.51
    n-nonanol 2419.55
    cyclohexanol 7533.8
    benzyl alcohol 2804.75
    2-ethylhexanol 3169.03
    isooctanol 2080.7
    dipropyl ether 2980.56
    1,2-dichlorobenzene 5250.71
    ethyl lactate 1286.02
    propylene carbonate 5334.42
    n-methylformamide 4858.05
    2-pentanol 4943.57
    n-pentane 1874.39
    1-propoxy-2-propanol 3564.38
    1-methoxy-2-propyl acetate 2418.72
    2-(2-methoxypropoxy) propanol 1663.98
    mesitylene 1235.44
    ε-caprolactone 7870.42
    p-cymene 1327.16
    epichlorohydrin 9019.71
    1,1,1-trichloroethane 11925.67
    2-aminoethanol 2178.4
    morpholine-4-carbaldehyde 4916.42
    sulfolane 7625.91
    2,2,4-trimethylpentane 770.12
    2-methyltetrahydrofuran 8261.95
    n-hexyl acetate 5000.1
    isooctane 532.9
    2-(2-butoxyethoxy)ethanol 2414.43
    sec-butyl acetate 2478.21
    tert-butyl acetate 2844.14
    decalin 1181.49
    glycerin 1337.57
    diglyme 4723.44
    acrylic acid 4468.18
    isopropyl myristate 1574.55
    n-butyric acid 7963.12
    acetyl acetate 2812.22
    di(2-ethylhexyl) phthalate 1145.34
    ethyl propionate 2883.48
    nitromethane 9228.06
    1,2-diethoxyethane 3772.49
    benzonitrile 6233.08
    trioctyl phosphate 1038.64
    1-bromopropane 8330.13
    gamma-valerolactone 8550.88
    n-decanol 1561.35
    triethyl phosphate 1196.62
    4-methyl-2-pentanol 2161.7
    propionitrile 8242.5
    vinylene carbonate 5333.12
    1,1,2-trichlorotrifluoroethane 5562.34
    DMS 2189.61
    cumene 1441.94
    2-octanol 2459.1
    2-hexanone 4391.39
    octyl acetate 2089.72
    limonene 2092.12
    1,2-dimethoxyethane 6642.21
    ethyl orthosilicate 1183.09
    tributyl phosphate 1342.94
    diacetone alcohol 2470.55
    N,N-dimethylaniline 2017.32
    acrylonitrile 8050.44
    aniline 3807.54
    1,3-propanediol 3469.16
    bromobenzene 7765.78
    dibromomethane 14045.07
    1,1,2,2-tetrachloroethane 15493.54
    2-methyl-cyclohexyl acetate 2232.15
    tetrabutyl urea 1592.96
    diisobutyl methanol 1525.84
    2-phenylethanol 2485.29
    styrene 3051.94
    dioctyl adipate 1920.4
    dimethyl sulfate 1647.0
    ethyl butyrate 3207.44
    methyl lactate 1317.99
    butyl lactate 2288.46
    diethyl carbonate 2162.69
    propanediol butyl ether 2505.12
    triethyl orthoformate 2113.16
    p-tert-butyltoluene 1209.93
    methyl 4-tert-butylbenzoate 2125.54
    morpholine 9456.03
    tert-butylamine 5802.43
    n-dodecanol 1148.78
    dimethoxymethane 2914.06
    ethylene carbonate 4870.13
    cyrene 1411.88
    2-ethoxyethyl acetate 2862.27
    2-ethylhexyl acetate 3632.12
    1,2,4-trichlorobenzene 5311.47
    4-methylpyridine 9806.5
    dibutyl ether 3847.9
    2,6-dimethyl-4-heptanol 1525.84
    DEF 5243.24
    dimethyl isosorbide 2473.41
    tetrachloroethylene 10774.98
    eugenol 2002.34
    triacetin 2416.22
    span 80 2055.1
    1,4-butanediol 1716.75
    1,1-dichloroethane 13320.11
    2-methyl-1-pentanol 4138.49
    methyl formate 3639.54
    2-methyl-1-butanol 5775.99
    n-decane 797.52
    butyronitrile 10343.09
    3,7-dimethyl-1-octanol 2559.08
    1-chlorooctane 2552.05
    1-chlorotetradecane 864.24
    n-nonane 918.58
    undecane 517.59
    tert-butylcyclohexane 1043.86
    cyclooctane 964.3
    cyclopentanol 6823.37
    tetrahydropyran 10955.37
    tert-amyl methyl ether 3888.31
    2,5,8-trioxanonane 2483.59
    1-hexene 5921.86
    2-isopropoxyethanol 2499.5
    2,2,2-trifluoroethanol 1931.09
    methyl butyrate 5012.11

    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