2-Pentyl propionate

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  • Identifiers

    CAS number
    54004-43-2

    Molecular formula
    C8H16O2

    SMILES
    CCCC(C)OC(=O)CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 98.22%
    Sweet 76.56%
    Banana 68.69%
    Apple 67.58%
    Pineapple 66.51%
    Green 63.0%
    Ethereal 53.77%
    Tropical 52.55%
    Ripe 51.05%
    Pear 49.09%

     

    Flavor
    Fruity 79.46%
    Sweet 56.4%
    Pineapple 56.12%
    Banana 51.68%
    Tropical 45.42%
    Green 44.73%
    Fruit 41.37%
    Apple 39.53%
    Ethereal 38.6%
    Herbal 36.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.71 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    152°C

    Flash point

    • 44.66 ˚C est.

  • Synonyms

    • 2-Pentyl propionate
    • 2-Pentanol, propanoate
    • Propanoic acid, 1-methylbutyl ester
    • 54004-43-2
    • RefChem:88990
    • IPVKBEOJURLVER-UHFFFAOYSA-N
    • 2-Pentanol propanoate
    • pentan-2-yl propanoate
    • 1-Methylbutyl propionate
    • 1-Methylbutyl propionate #
    • SCHEMBL880131
    • SCHEMBL7002370
    • SCHEMBL7464412
    • SCHEMBL11473442
    • DTXSID20334652
    • DB-365222
    • 54004-43-2

  • Applications

    2-Pentyl propionate (CAS 54004-43-2) is used as a fragrance/odorant in perfumery and cosmetics, contributing fruity and green notes; it is also evaluated as an aroma ingredient for flavor formulations. It is employed in household products such as air fresheners and cleaners as an additive, and can function as a solvent or processing aid in coatings, inks, and related systems. In chemical synthesis, it can serve as an intermediate for specialty esters, and in polymer formulations may act as a processing aid or plasticizer depending on the formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6886.27
    methanol 8876.95
    isopropanol 6194.65
    water 8.82
    ethyl acetate 3380.91
    n-propanol 5463.58
    acetone 5466.22
    n-butanol 4920.46
    acetonitrile 5497.95
    DMF 4807.05
    toluene 1759.68
    isobutanol 4347.32
    1,4-dioxane 5353.08
    methyl acetate 2948.31
    THF 6248.28
    2-butanone 3715.55
    n-pentanol 3497.69
    sec-butanol 5597.91
    n-hexane 1822.75
    ethylene glycol 938.92
    NMP 4306.51
    cyclohexane 2073.49
    DMSO 4234.55
    n-butyl acetate 3329.4
    n-octanol 2115.16
    chloroform 11503.28
    n-propyl acetate 2201.28
    acetic acid 6211.71
    dichloromethane 9293.41
    cyclohexanone 5803.05
    propylene glycol 1517.98
    isopropyl acetate 2076.73
    DMAc 3603.94
    2-ethoxyethanol 2825.53
    isopentanol 4172.45
    n-heptane 770.28
    ethyl formate 2575.3
    1,2-dichloroethane 4431.19
    n-hexanol 4071.17
    2-methoxyethanol 4319.87
    isobutyl acetate 1350.77
    tetrachloromethane 1923.38
    n-pentyl acetate 2131.02
    transcutol 5675.26
    n-heptanol 1593.29
    ethylbenzene 1216.4
    MIBK 1786.43
    2-propoxyethanol 3881.11
    tert-butanol 5812.92
    MTBE 4355.27
    2-butoxyethanol 1884.2
    propionic acid 3785.69
    o-xylene 1127.84
    formic acid 1496.15
    diethyl ether 4230.44
    m-xylene 1088.19
    p-xylene 1738.84
    chlorobenzene 2851.29
    dimethyl carbonate 758.75
    n-octane 299.92
    formamide 1573.91
    cyclopentanone 4690.75
    2-pentanone 3214.68
    anisole 1810.55
    cyclopentyl methyl ether 3346.72
    gamma-butyrolactone 5154.91
    1-methoxy-2-propanol 3202.1
    pyridine 4731.5
    3-pentanone 2104.18
    furfural 3782.85
    n-dodecane 208.97
    diethylene glycol 2019.2
    diisopropyl ether 1196.84
    tert-amyl alcohol 5212.37
    acetylacetone 2556.41
    n-hexadecane 236.49
    acetophenone 1649.36
    methyl propionate 2059.25
    isopentyl acetate 2762.2
    trichloroethylene 8147.31
    n-nonanol 1600.68
    cyclohexanol 4943.95
    benzyl alcohol 1774.53
    2-ethylhexanol 2203.09
    isooctanol 1249.22
    dipropyl ether 2116.34
    1,2-dichlorobenzene 2172.82
    ethyl lactate 778.0
    propylene carbonate 2813.01
    n-methylformamide 2845.75
    2-pentanol 3580.85
    n-pentane 1332.98
    1-propoxy-2-propanol 2637.28
    1-methoxy-2-propyl acetate 1757.34
    2-(2-methoxypropoxy) propanol 1401.56
    mesitylene 734.73
    ε-caprolactone 4633.2
    p-cymene 774.15
    epichlorohydrin 4975.51
    1,1,1-trichloroethane 4801.48
    2-aminoethanol 2062.87
    morpholine-4-carbaldehyde 3806.54
    sulfolane 4866.08
    2,2,4-trimethylpentane 524.66
    2-methyltetrahydrofuran 5814.05
    n-hexyl acetate 3300.39
    isooctane 341.34
    2-(2-butoxyethoxy)ethanol 1918.12
    sec-butyl acetate 1364.2
    tert-butyl acetate 1914.11
    decalin 669.0
    glycerin 1491.6
    diglyme 3233.08
    acrylic acid 2775.13
    isopropyl myristate 923.23
    n-butyric acid 5126.13
    acetyl acetate 1861.87
    di(2-ethylhexyl) phthalate 820.77
    ethyl propionate 1658.72
    nitromethane 5999.2
    1,2-diethoxyethane 2576.96
    benzonitrile 2961.97
    trioctyl phosphate 645.63
    1-bromopropane 4096.53
    gamma-valerolactone 5348.09
    n-decanol 1023.36
    triethyl phosphate 688.14
    4-methyl-2-pentanol 1634.82
    propionitrile 4038.51
    vinylene carbonate 2680.8
    1,1,2-trichlorotrifluoroethane 3244.52
    DMS 1325.55
    cumene 825.78
    2-octanol 1404.16
    2-hexanone 2529.89
    octyl acetate 1223.75
    limonene 1336.25
    1,2-dimethoxyethane 4768.29
    ethyl orthosilicate 689.07
    tributyl phosphate 833.02
    diacetone alcohol 1914.47
    N,N-dimethylaniline 1244.59
    acrylonitrile 3983.62
    aniline 2127.02
    1,3-propanediol 2875.85
    bromobenzene 3165.55
    dibromomethane 6848.12
    1,1,2,2-tetrachloroethane 6628.29
    2-methyl-cyclohexyl acetate 1347.28
    tetrabutyl urea 983.24
    diisobutyl methanol 950.91
    2-phenylethanol 1690.28
    styrene 1599.37
    dioctyl adipate 1211.97
    dimethyl sulfate 1136.56
    ethyl butyrate 1729.37
    methyl lactate 974.73
    butyl lactate 1321.5
    diethyl carbonate 1052.21
    propanediol butyl ether 1918.63
    triethyl orthoformate 1077.95
    p-tert-butyltoluene 719.85
    methyl 4-tert-butylbenzoate 1295.87
    morpholine 6372.87
    tert-butylamine 4264.09
    n-dodecanol 736.79
    dimethoxymethane 2427.82
    ethylene carbonate 2373.33
    cyrene 1097.59
    2-ethoxyethyl acetate 1816.54
    2-ethylhexyl acetate 2030.46
    1,2,4-trichlorobenzene 2302.88
    4-methylpyridine 4995.08
    dibutyl ether 2304.11
    2,6-dimethyl-4-heptanol 950.91
    DEF 3575.49
    dimethyl isosorbide 1987.56
    tetrachloroethylene 4412.35
    eugenol 1244.47
    triacetin 1656.43
    span 80 1524.44
    1,4-butanediol 1360.46
    1,1-dichloroethane 6061.37
    2-methyl-1-pentanol 3014.55
    methyl formate 2108.21
    2-methyl-1-butanol 4088.68
    n-decane 400.43
    butyronitrile 5004.17
    3,7-dimethyl-1-octanol 1729.66
    1-chlorooctane 1385.9
    1-chlorotetradecane 450.76
    n-nonane 461.82
    undecane 271.77
    tert-butylcyclohexane 629.66
    cyclooctane 502.85
    cyclopentanol 4510.02
    tetrahydropyran 6652.65
    tert-amyl methyl ether 2836.54
    2,5,8-trioxanonane 1969.24
    1-hexene 3996.83
    2-isopropoxyethanol 1943.55
    2,2,2-trifluoroethanol 1228.75
    methyl butyrate 2733.87

    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