2-Propionylpyrroline

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  • Identifiers

    CAS number
    133447-37-7

    Molecular formula
    C7H11NO

    SMILES
    CCC(=O)C1=NCCC1

  • Odor profile

    Roasted 70.73%
    Nutty 66.4%
    Popcorn 60.16%
    Caramellic 46.99%
    Burnt 33.68%
    Hazelnut 30.32%
    Buttery 29.75%
    Meaty 28.21%
    Potato 27.63%
    Coffee 26.34%

    Scent© AI

  • Properties

    XLogP3-AA
    0.0

    pKa est.
    7.58 (neutral)

    Molecular weight
    125.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 89.00 to 90.00 °C. @ 1.00 mm Hg

    Flash point est.
    88.02 ˚C

    Solubility expt.

    • Soluble in heptane, triacetin
    • Soluble (in ethanol)

  • Synonyms

    • 133447-37-7
    • 2-propionyl-1-pyrroline
    • 1-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-one
    • 2-Propionylpyrroline
    • FEMA No. 4063
    • 1-Propanone, 1-(3,4-dihydro-2H-pyrrol-5-yl)-
    • 3,4-Dihydro-5-propanoyl-2H-pyrrole
    • C032C57DYG
    • 1-(3,4-Dihydro-2H-pyroll-5-yl)-1-propanone
    • 1-Pyrroline, 2-propanoyl
    • propionylpyrroline,2-propionyl-1-pyrroline
    • DTXSID60158112
    • 2-PROPIONYLPYRROLINE [FHFI]
    • UNII-C032C57DYG
    • SCHEMBL2134321
    • DTXCID1080603
    • CHEBI:184280
    • OVNCGQSYSSYBPO-UHFFFAOYSA-N
    • AKOS015842699
    • DB-328463
    • NS00124210
    • 1-(3,4-Dihydro-2H-pyrrol-5-yl)-1-propanone, 9CI
    • Q27274991
    • 639-056-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1402.03
    methanol 2698.87
    isopropanol 916.17
    water 26.82
    ethyl acetate 1122.32
    n-propanol 1053.43
    acetone 2186.79
    n-butanol 931.05
    acetonitrile 2518.79
    DMF 2591.03
    toluene 756.3
    isobutanol 809.57
    1,4-dioxane 1562.08
    methyl acetate 1198.22
    THF 2064.31
    2-butanone 1370.56
    n-pentanol 731.13
    sec-butanol 771.92
    n-hexane 133.71
    ethylene glycol 502.37
    NMP 2367.7
    cyclohexane 158.72
    DMSO 2680.93
    n-butyl acetate 802.42
    n-octanol 545.84
    chloroform 6209.07
    n-propyl acetate 851.42
    acetic acid 2367.95
    dichloromethane 6923.95
    cyclohexanone 2034.79
    propylene glycol 455.55
    isopropyl acetate 714.23
    DMAc 1448.11
    2-ethoxyethanol 1156.32
    isopentanol 801.77
    n-heptane 69.67
    ethyl formate 1280.76
    1,2-dichloroethane 2849.46
    n-hexanol 576.15
    2-methoxyethanol 1801.51
    isobutyl acetate 515.42
    tetrachloromethane 879.4
    n-pentyl acetate 732.24
    transcutol 3149.21
    n-heptanol 381.49
    ethylbenzene 436.8
    MIBK 678.36
    2-propoxyethanol 1086.78
    tert-butanol 807.81
    MTBE 687.96
    2-butoxyethanol 791.82
    propionic acid 1270.39
    o-xylene 473.14
    formic acid 1134.34
    diethyl ether 780.73
    m-xylene 492.28
    p-xylene 619.08
    chlorobenzene 1926.64
    dimethyl carbonate 537.6
    n-octane 48.37
    formamide 1326.47
    cyclopentanone 2503.77
    2-pentanone 1094.74
    anisole 931.93
    cyclopentyl methyl ether 970.48
    gamma-butyrolactone 2989.13
    1-methoxy-2-propanol 1083.76
    pyridine 2342.9
    3-pentanone 818.7
    furfural 3013.5
    n-dodecane 53.01
    diethylene glycol 925.69
    diisopropyl ether 270.96
    tert-amyl alcohol 703.16
    acetylacetone 1416.23
    n-hexadecane 61.08
    acetophenone 961.79
    methyl propionate 889.61
    isopentyl acetate 681.28
    trichloroethylene 5973.1
    n-nonanol 412.4
    cyclohexanol 791.67
    benzyl alcohol 878.14
    2-ethylhexanol 362.25
    isooctanol 328.89
    dipropyl ether 358.13
    1,2-dichlorobenzene 1695.23
    ethyl lactate 435.45
    propylene carbonate 1521.62
    n-methylformamide 1894.58
    2-pentanol 582.69
    n-pentane 109.28
    1-propoxy-2-propanol 657.57
    1-methoxy-2-propyl acetate 661.47
    2-(2-methoxypropoxy) propanol 585.38
    mesitylene 343.02
    ε-caprolactone 1697.83
    p-cymene 247.46
    epichlorohydrin 3009.32
    1,1,1-trichloroethane 2411.09
    2-aminoethanol 772.48
    morpholine-4-carbaldehyde 2130.93
    sulfolane 3151.94
    2,2,4-trimethylpentane 81.65
    2-methyltetrahydrofuran 1455.97
    n-hexyl acetate 1103.83
    isooctane 64.21
    2-(2-butoxyethoxy)ethanol 915.59
    sec-butyl acetate 521.36
    tert-butyl acetate 706.51
    decalin 115.73
    glycerin 706.93
    diglyme 1792.99
    acrylic acid 1458.45
    isopropyl myristate 323.03
    n-butyric acid 1484.13
    acetyl acetate 902.83
    di(2-ethylhexyl) phthalate 322.18
    ethyl propionate 709.65
    nitromethane 3673.05
    1,2-diethoxyethane 893.6
    benzonitrile 1961.72
    trioctyl phosphate 233.37
    1-bromopropane 1367.79
    gamma-valerolactone 2842.47
    n-decanol 278.17
    triethyl phosphate 287.22
    4-methyl-2-pentanol 350.69
    propionitrile 1546.55
    vinylene carbonate 1681.11
    1,1,2-trichlorotrifluoroethane 1917.11
    DMS 784.27
    cumene 310.25
    2-octanol 331.24
    2-hexanone 821.74
    octyl acetate 448.98
    limonene 315.38
    1,2-dimethoxyethane 1547.47
    ethyl orthosilicate 261.71
    tributyl phosphate 303.38
    diacetone alcohol 710.83
    N,N-dimethylaniline 570.2
    acrylonitrile 2433.64
    aniline 1025.79
    1,3-propanediol 974.4
    bromobenzene 2180.0
    dibromomethane 3839.2
    1,1,2,2-tetrachloroethane 3886.68
    2-methyl-cyclohexyl acetate 432.36
    tetrabutyl urea 395.3
    diisobutyl methanol 220.21
    2-phenylethanol 666.01
    styrene 702.73
    dioctyl adipate 439.18
    dimethyl sulfate 931.53
    ethyl butyrate 572.6
    methyl lactate 532.14
    butyl lactate 532.9
    diethyl carbonate 427.63
    propanediol butyl ether 823.32
    triethyl orthoformate 365.09
    p-tert-butyltoluene 221.45
    methyl 4-tert-butylbenzoate 666.4
    morpholine 1669.84
    tert-butylamine 556.59
    n-dodecanol 200.37
    dimethoxymethane 1180.7
    ethylene carbonate 1272.37
    cyrene 552.55
    2-ethoxyethyl acetate 855.43
    2-ethylhexyl acetate 513.37
    1,2,4-trichlorobenzene 1793.69
    4-methylpyridine 2322.64
    dibutyl ether 553.03
    2,6-dimethyl-4-heptanol 220.21
    DEF 1311.3
    dimethyl isosorbide 899.56
    tetrachloroethylene 2778.78
    eugenol 744.3
    triacetin 775.88
    span 80 528.93
    1,4-butanediol 518.01
    1,1-dichloroethane 2740.41
    2-methyl-1-pentanol 635.39
    methyl formate 1657.88
    2-methyl-1-butanol 762.8
    n-decane 85.89
    butyronitrile 1521.38
    3,7-dimethyl-1-octanol 405.67
    1-chlorooctane 389.8
    1-chlorotetradecane 143.31
    n-nonane 86.24
    undecane 65.32
    tert-butylcyclohexane 113.47
    cyclooctane 59.75
    cyclopentanol 982.04
    tetrahydropyran 1241.8
    tert-amyl methyl ether 509.71
    2,5,8-trioxanonane 954.01
    1-hexene 444.13
    2-isopropoxyethanol 728.98
    2,2,2-trifluoroethanol 843.72
    methyl butyrate 1081.93

    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