2-Acetyl-2-pyrroline

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  • Identifiers

    CAS number
    1314926-27-6

    Molecular formula
    C6H9NO

    SMILES
    CC(=O)C1=CCCN1

  • Odor profile

    Fragrance
    Nutty 75.72%
    Roasted 66.38%
    Popcorn 60.52%
    Caramellic 56.64%
    Sweet 55.57%
    Burnt 39.61%
    Buttery 30.7%
    Coffee 28.16%
    Musty 27.82%
    Hazelnut 27.39%

     

    Flavor
    Nutty 46.09%
    Roasted 42.32%
    Roast 35.73%
    Cooked 30.78%
    Popcorn 30.72%
    Corn 27.54%
    Chip 27.22%
    Bread 25.15%
    Nut 24.98%
    Taco 24.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.11 (neutral)

    Molecular weight
    111.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    207°C

    Flash point

    • 97.37 ˚C est.

  • Synonyms

    • 2-acetyl-2-pyrroline
    • 1-(2,3-dihydro-1H-pyrrol-5-yl)ethanone
    • 1-(4,5-Dihydro-1H-pyrrol-2-yl)ethanone
    • 1314926-27-6
    • SCHEMBL787457
    • ZEKCQHIPQALHSP-UHFFFAOYSA-N
    • AKOS006357244

  • Applications

    2-Acetyl-2-pyrroline (CAS 1314926-27-6) is primarily used as an aroma compound to provide roasty, bread-like and popcorn notes, making it a valuable ingredient in flavor and fragrance applications. In perfumery and fragrance, it serves as a fragrance ingredient; in cosmetics/personal care it may be used as a scent additive. In household products such as cleaners and air fresheners, it is employed to impart a distinctive bakery/roasted aroma. It can also function as an intermediate in the synthesis of other aroma chemicals and may be considered for food flavoring applications within regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 719.3
    methanol 1459.95
    isopropanol 339.19
    water 118.51
    ethyl acetate 158.25
    n-propanol 419.29
    acetone 298.36
    n-butanol 314.88
    acetonitrile 357.86
    DMF 482.28
    toluene 68.49
    isobutanol 258.63
    1,4-dioxane 299.09
    methyl acetate 175.25
    THF 428.68
    2-butanone 191.28
    n-pentanol 229.95
    sec-butanol 233.35
    n-hexane 17.84
    ethylene glycol 295.42
    NMP 439.07
    cyclohexane 15.19
    DMSO 537.01
    n-butyl acetate 108.77
    n-octanol 83.56
    chloroform 598.48
    n-propyl acetate 85.52
    acetic acid 897.55
    dichloromethane 598.18
    cyclohexanone 241.58
    propylene glycol 196.78
    isopropyl acetate 87.86
    DMAc 280.92
    2-ethoxyethanol 325.89
    isopentanol 215.66
    n-heptane 13.21
    ethyl formate 182.38
    1,2-dichloroethane 239.04
    n-hexanol 155.01
    2-methoxyethanol 558.52
    isobutyl acetate 58.7
    tetrachloromethane 84.77
    n-pentyl acetate 81.04
    transcutol 693.75
    n-heptanol 75.52
    ethylbenzene 30.42
    MIBK 101.0
    2-propoxyethanol 272.52
    tert-butanol 234.42
    MTBE 133.57
    2-butoxyethanol 152.17
    propionic acid 307.97
    o-xylene 49.06
    formic acid 878.57
    diethyl ether 170.32
    m-xylene 54.76
    p-xylene 42.92
    chlorobenzene 141.54
    dimethyl carbonate 61.34
    n-octane 6.47
    formamide 616.85
    cyclopentanone 333.23
    2-pentanone 157.04
    anisole 90.91
    cyclopentyl methyl ether 174.93
    gamma-butyrolactone 427.29
    1-methoxy-2-propanol 283.18
    pyridine 244.97
    3-pentanone 106.82
    furfural 403.06
    n-dodecane 6.41
    diethylene glycol 290.34
    diisopropyl ether 40.28
    tert-amyl alcohol 179.1
    acetylacetone 159.79
    n-hexadecane 6.99
    acetophenone 90.74
    methyl propionate 126.5
    isopentyl acetate 89.3
    trichloroethylene 450.07
    n-nonanol 70.17
    cyclohexanol 159.21
    benzyl alcohol 118.69
    2-ethylhexanol 71.12
    isooctanol 60.03
    dipropyl ether 64.78
    1,2-dichlorobenzene 121.2
    ethyl lactate 64.14
    propylene carbonate 188.09
    n-methylformamide 398.67
    2-pentanol 161.05
    n-pentane 23.01
    1-propoxy-2-propanol 146.48
    1-methoxy-2-propyl acetate 106.85
    2-(2-methoxypropoxy) propanol 120.62
    mesitylene 35.6
    ε-caprolactone 211.2
    p-cymene 29.43
    epichlorohydrin 375.86
    1,1,1-trichloroethane 185.97
    2-aminoethanol 388.92
    morpholine-4-carbaldehyde 362.2
    sulfolane 393.37
    2,2,4-trimethylpentane 13.68
    2-methyltetrahydrofuran 281.7
    n-hexyl acetate 117.91
    isooctane 10.72
    2-(2-butoxyethoxy)ethanol 191.87
    sec-butyl acetate 57.73
    tert-butyl acetate 89.36
    decalin 11.55
    glycerin 279.76
    diglyme 280.99
    acrylic acid 321.24
    isopropyl myristate 42.23
    n-butyric acid 325.4
    acetyl acetate 115.87
    di(2-ethylhexyl) phthalate 54.73
    ethyl propionate 68.27
    nitromethane 679.45
    1,2-diethoxyethane 154.39
    benzonitrile 166.92
    trioctyl phosphate 38.52
    1-bromopropane 144.74
    gamma-valerolactone 377.04
    n-decanol 50.45
    triethyl phosphate 43.24
    4-methyl-2-pentanol 85.87
    propionitrile 225.16
    vinylene carbonate 197.89
    1,1,2-trichlorotrifluoroethane 266.72
    DMS 86.12
    cumene 29.0
    2-octanol 51.29
    2-hexanone 98.98
    octyl acetate 55.77
    limonene 43.71
    1,2-dimethoxyethane 269.88
    ethyl orthosilicate 43.45
    tributyl phosphate 48.54
    diacetone alcohol 124.63
    N,N-dimethylaniline 67.17
    acrylonitrile 269.31
    aniline 147.76
    1,3-propanediol 387.39
    bromobenzene 119.33
    dibromomethane 338.13
    1,1,2,2-tetrachloroethane 297.5
    2-methyl-cyclohexyl acetate 63.01
    tetrabutyl urea 62.54
    diisobutyl methanol 42.34
    2-phenylethanol 98.02
    styrene 41.9
    dioctyl adipate 58.67
    dimethyl sulfate 109.83
    ethyl butyrate 69.5
    methyl lactate 96.12
    butyl lactate 72.45
    diethyl carbonate 51.31
    propanediol butyl ether 151.81
    triethyl orthoformate 56.25
    p-tert-butyltoluene 27.69
    methyl 4-tert-butylbenzoate 87.67
    morpholine 343.0
    tert-butylamine 150.06
    n-dodecanol 37.52
    dimethoxymethane 232.5
    ethylene carbonate 147.61
    cyrene 127.19
    2-ethoxyethyl acetate 123.77
    2-ethylhexyl acetate 67.11
    1,2,4-trichlorobenzene 137.48
    4-methylpyridine 223.42
    dibutyl ether 68.03
    2,6-dimethyl-4-heptanol 42.34
    DEF 169.76
    dimethyl isosorbide 171.94
    tetrachloroethylene 233.82
    eugenol 106.08
    triacetin 103.35
    span 80 110.08
    1,4-butanediol 201.63
    1,1-dichloroethane 254.69
    2-methyl-1-pentanol 164.33
    methyl formate 288.6
    2-methyl-1-butanol 216.92
    n-decane 10.44
    butyronitrile 230.63
    3,7-dimethyl-1-octanol 71.86
    1-chlorooctane 41.48
    1-chlorotetradecane 17.2
    n-nonane 9.95
    undecane 7.99
    tert-butylcyclohexane 12.34
    cyclooctane 6.69
    cyclopentanol 230.33
    tetrahydropyran 233.97
    tert-amyl methyl ether 98.01
    2,5,8-trioxanonane 198.54
    1-hexene 61.13
    2-isopropoxyethanol 183.03
    2,2,2-trifluoroethanol 276.18
    methyl butyrate 99.6

    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