Propyl propionate

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  • Identifiers

    CAS number
    106-36-5

    Molecular formula
    C6H12O2

    SMILES
    CCCOC(=O)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 97.1%
    Sweet 83.83%
    Ethereal 80.95%
    Rummy 65.14%
    Pineapple 62.25%
    Banana 58.95%
    Apple 58.68%
    Winey 50.75%
    Pungent 41.63%
    Pear 41.02%

     

    Flavor
    Fruity 88.95%
    Sweet 82.03%
    Pineapple 63.65%
    Bitter 56.01%
    Banana 55.47%
    Apple 53.78%
    Ether 50.04%
    Fruit 47.68%
    Rum 44.79%
    Ethereal 42.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.03 (weak base)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -75.9 °C

    Boiling point

    • 122.00 to 124.00 °C. @ 760.00 mm Hg

    Flash point

    • 22.42 ˚C est.

    Solubility expt.

    • 5.3 mg/mL at 25 °C
    • miscible with alcohol, ether, propylene glycol; soluble 1 ml in 200 ml water
    • 1 ml in 1 ml 95% alcohol (in ethanol)

  • Synonyms

    • PROPYL PROPIONATE
    • Propyl propanoate
    • 106-36-5
    • n-Propyl propionate
    • Propanoic acid, propyl ester
    • n-Propyl propanoate
    • Propionic acid, propyl ester
    • n-Propyl n-propionate
    • Propylester kyseliny propionove
    • FEMA No. 2958
    • Propyl propionate (natural)
    • Propionic acid n-propyl ester
    • NSC 72022
    • Propyl ester of propanoic acid
    • Propyl-propanoate
    • UNII-G09TRV00GK
    • Propionic Acid Propyl Ester
    • EINECS 203-389-7
    • G09TRV00GK
    • Propylester kyseliny propionove [Czech]
    • BRN 1699993
    • DTXSID4042337
    • n-Propyl n-propanoate
    • CHEBI:89828
    • AI3-24357
    • NSC-72022
    • Propionic acid-propyl ester
    • PROPYL PROPANOATE [MI]
    • PROPYL PROPIONATE [FCC]
    • DTXCID2022337
    • PROPYL PROPIONATE [FHFI]
    • FEMA 2958
    • WE(3:0/3:0)
    • 4-02-00-00707 (Beilstein Handbook Reference)
    • MFCD00009373
    • propyl propionic acid
    • Propyl propanoic acid
    • N-Propyl propanoic acid
    • N-Propyl propionic acid
    • Propanoate, propyl ester
    • Propionate, propyl ester
    • Propyl propionate, 99%
    • Propionate N-propyl ester
    • N-Propyl N-propionic acid
    • Propyl ester OF propanoate
    • SCHEMBL62961
    • WLN: 3OV2
    • CHEMBL3185284
    • NSC72022
    • Tox21_301107
    • LMFA07010412
    • AKOS008947790
    • Propyl propionate, >=98%, FCC, FG
    • NCGC00248289-01
    • NCGC00255007-01
    • CAS-106-36-5
    • LS-13177
    • DB-040686
    • NS00013167
    • P0511
    • F87292
    • Q3119221
    • Propyl propionate, natural (US), >=98%, FCC, FG
    • 203-389-7

  • Applications

    Propyl propionate, also called n-propyl propanoate (CAS 106-36-5), is a mildly sweet, fruity ester widely used as a medium-evaporation solvent for nitrocellulose lacquers, automotive paints, printing inks, adhesives, detergents and synthetic resins; owing to its strong solvency toward acrylic, alkyd, polyurethane and polyester systems, it boosts flow, gloss and drying speed while enabling formulators to lower overall VOC levels when combined with faster-boiling esters; in electronics it acts as a residue-free circuit-board cleaner, in flavors and fragrances its delicate apple-pear note is approved for candies, baked goods, beverages and fine perfumes, and it also serves as an intermediate for mixed esters employed in pharmaceuticals, agrochemicals and tattoo inks; its broad solvent compatibility and low toxicity make propyl propionate an environmentally friendlier alternative to chlorinated solvents or aggressive ketones, and it is supplied in high purity for ink-jet, film-coating and high-performance metal-surface treatments.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2739.38
    methanol 4094.53
    isopropanol 2124.97
    water 13.91
    ethyl acetate 1367.77
    n-propanol 1985.98
    acetone 2285.71
    n-butanol 1847.66
    acetonitrile 2691.98
    DMF 2708.26
    toluene 814.48
    isobutanol 1501.11
    1,4-dioxane 2307.93
    methyl acetate 1489.86
    THF 2258.63
    2-butanone 1871.28
    n-pentanol 1547.83
    sec-butanol 1966.18
    n-hexane 487.27
    ethylene glycol 570.86
    NMP 2185.77
    cyclohexane 540.5
    DMSO 2445.96
    n-butyl acetate 1677.57
    n-octanol 1115.09
    chloroform 5277.85
    n-propyl acetate 1269.2
    acetic acid 2836.73
    dichloromethane 5623.95
    cyclohexanone 2245.2
    propylene glycol 715.37
    isopropyl acetate 794.96
    DMAc 2316.09
    2-ethoxyethanol 1703.83
    isopentanol 1489.96
    n-heptane 342.5
    ethyl formate 1546.0
    1,2-dichloroethane 2591.65
    n-hexanol 1419.61
    2-methoxyethanol 2390.41
    isobutyl acetate 719.71
    tetrachloromethane 968.01
    n-pentyl acetate 1053.37
    transcutol 3021.97
    n-heptanol 832.22
    ethylbenzene 750.82
    MIBK 763.67
    2-propoxyethanol 1700.6
    tert-butanol 2141.63
    MTBE 1597.48
    2-butoxyethanol 1198.46
    propionic acid 1732.69
    o-xylene 644.78
    formic acid 1054.18
    diethyl ether 1397.22
    m-xylene 553.31
    p-xylene 1133.09
    chlorobenzene 1569.8
    dimethyl carbonate 446.83
    n-octane 175.22
    formamide 1213.28
    cyclopentanone 2131.15
    2-pentanone 1356.79
    anisole 1231.5
    cyclopentyl methyl ether 1080.04
    gamma-butyrolactone 2414.45
    1-methoxy-2-propanol 1526.92
    pyridine 2500.03
    3-pentanone 1008.87
    furfural 2686.46
    n-dodecane 157.41
    diethylene glycol 1107.57
    diisopropyl ether 411.73
    tert-amyl alcohol 2029.91
    acetylacetone 1191.02
    n-hexadecane 169.54
    acetophenone 1244.18
    methyl propionate 1017.64
    isopentyl acetate 1274.5
    trichloroethylene 4784.02
    n-nonanol 884.58
    cyclohexanol 1454.9
    benzyl alcohol 1176.37
    2-ethylhexanol 1024.37
    isooctanol 670.1
    dipropyl ether 958.87
    1,2-dichlorobenzene 1467.56
    ethyl lactate 555.0
    propylene carbonate 1533.98
    n-methylformamide 1785.28
    2-pentanol 1235.6
    n-pentane 390.79
    1-propoxy-2-propanol 1273.68
    1-methoxy-2-propyl acetate 837.51
    2-(2-methoxypropoxy) propanol 958.6
    mesitylene 390.34
    ε-caprolactone 1979.17
    p-cymene 521.23
    epichlorohydrin 2711.96
    1,1,1-trichloroethane 2446.37
    2-aminoethanol 1087.53
    morpholine-4-carbaldehyde 2243.33
    sulfolane 2463.57
    2,2,4-trimethylpentane 230.96
    2-methyltetrahydrofuran 2043.29
    n-hexyl acetate 1507.4
    isooctane 151.44
    2-(2-butoxyethoxy)ethanol 1263.11
    sec-butyl acetate 729.23
    tert-butyl acetate 773.83
    decalin 299.04
    glycerin 837.61
    diglyme 2335.64
    acrylic acid 1626.29
    isopropyl myristate 579.49
    n-butyric acid 2023.54
    acetyl acetate 844.46
    di(2-ethylhexyl) phthalate 538.6
    ethyl propionate 938.77
    nitromethane 3024.89
    1,2-diethoxyethane 1457.22
    benzonitrile 2047.22
    trioctyl phosphate 432.92
    1-bromopropane 1873.11
    gamma-valerolactone 2652.65
    n-decanol 624.01
    triethyl phosphate 487.4
    4-methyl-2-pentanol 642.7
    propionitrile 1861.5
    vinylene carbonate 1681.58
    1,1,2-trichlorotrifluoroethane 1998.17
    DMS 825.98
    cumene 554.01
    2-octanol 728.71
    2-hexanone 1432.54
    octyl acetate 764.57
    limonene 726.21
    1,2-dimethoxyethane 2987.76
    ethyl orthosilicate 443.25
    tributyl phosphate 571.21
    diacetone alcohol 869.79
    N,N-dimethylaniline 921.38
    acrylonitrile 2459.17
    aniline 1095.97
    1,3-propanediol 1454.48
    bromobenzene 1684.52
    dibromomethane 3516.04
    1,1,2,2-tetrachloroethane 3441.5
    2-methyl-cyclohexyl acetate 810.7
    tetrabutyl urea 706.68
    diisobutyl methanol 505.82
    2-phenylethanol 991.81
    styrene 1039.98
    dioctyl adipate 810.23
    dimethyl sulfate 670.9
    ethyl butyrate 1152.85
    methyl lactate 570.19
    butyl lactate 811.44
    diethyl carbonate 816.41
    propanediol butyl ether 1099.87
    triethyl orthoformate 660.8
    p-tert-butyltoluene 460.2
    methyl 4-tert-butylbenzoate 888.31
    morpholine 2555.25
    tert-butylamine 1591.22
    n-dodecanol 472.05
    dimethoxymethane 1285.12
    ethylene carbonate 1256.15
    cyrene 682.3
    2-ethoxyethyl acetate 1017.09
    2-ethylhexyl acetate 995.7
    1,2,4-trichlorobenzene 1539.01
    4-methylpyridine 2630.14
    dibutyl ether 1129.77
    2,6-dimethyl-4-heptanol 505.82
    DEF 1801.64
    dimethyl isosorbide 1191.22
    tetrachloroethylene 2472.82
    eugenol 989.7
    triacetin 1049.03
    span 80 936.43
    1,4-butanediol 838.18
    1,1-dichloroethane 2685.48
    2-methyl-1-pentanol 1405.42
    methyl formate 1300.61
    2-methyl-1-butanol 1454.11
    n-decane 246.25
    butyronitrile 2173.14
    3,7-dimethyl-1-octanol 951.53
    1-chlorooctane 776.64
    1-chlorotetradecane 315.32
    n-nonane 262.17
    undecane 189.91
    tert-butylcyclohexane 305.77
    cyclooctane 170.56
    cyclopentanol 1591.7
    tetrahydropyran 2117.93
    tert-amyl methyl ether 1177.62
    2,5,8-trioxanonane 1429.36
    1-hexene 1315.87
    2-isopropoxyethanol 1124.57
    2,2,2-trifluoroethanol 682.5
    methyl butyrate 1580.12

    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