N-Acetyl-2,3-dihydro-1H-pyrrole

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  • Identifiers

    CAS number
    23105-58-0

    Molecular formula
    C6H9NO

    SMILES
    CC(=O)N1CCC=C1

  • Odor profile

    Nutty 65.77%
    Roasted 65.42%
    Popcorn 60.52%
    Burnt 36.76%
    Meaty 33.3%
    Caramellic 31.53%
    Fishy 28.17%
    Hazelnut 27.98%
    Cooked 26.82%
    Potato 24.86%

    Scent© AI

  • Properties

    XLogP3-AA
    0.2

    Molecular weight
    111.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point est.
    85.07 ˚C

  • Synonyms

    • N-Acetyl-2,3-dihydro-1H-pyrrole
    • 23105-58-0
    • N-acetyl-2-pyrroline
    • 1-(2,3-dihydropyrrol-1-yl)ethanone
    • acetylpyrroline
    • SCHEMBL310712
    • CHEBI:179310
    • CMFWLOPIOWBYCM-UHFFFAOYSA-N
    • DTXSID201315232
    • 1-acetyl-2,3-dihydro-1H-pyrrole
    • 1-(2,3-dihydro-1H-pyrrol-1-yl)-ethanone
    • 1-(2,3-dihydro-1H-pyrrol-1-yl)ethan-1-one
    • Ethanone, 1-(2,3-dihydro-1H-pyrrol-1-yl)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 501.4
    methanol 833.53
    isopropanol 284.66
    water 70.97
    ethyl acetate 155.55
    n-propanol 318.86
    acetone 251.64
    n-butanol 246.97
    acetonitrile 344.15
    DMF 486.73
    toluene 107.94
    isobutanol 219.84
    1,4-dioxane 266.15
    methyl acetate 179.11
    THF 328.89
    2-butanone 198.91
    n-pentanol 170.11
    sec-butanol 226.95
    n-hexane 16.99
    ethylene glycol 189.6
    NMP 516.13
    cyclohexane 17.25
    DMSO 392.35
    n-butyl acetate 68.23
    n-octanol 52.51
    chloroform 796.2
    n-propyl acetate 61.39
    acetic acid 625.84
    dichloromethane 750.62
    cyclohexanone 227.67
    propylene glycol 163.69
    isopropyl acetate 75.91
    DMAc 405.71
    2-ethoxyethanol 234.44
    isopentanol 175.91
    n-heptane 8.79
    ethyl formate 146.1
    1,2-dichloroethane 266.75
    n-hexanol 108.03
    2-methoxyethanol 421.33
    isobutyl acetate 42.05
    tetrachloromethane 100.84
    n-pentyl acetate 59.38
    transcutol 504.51
    n-heptanol 50.96
    ethylbenzene 38.52
    MIBK 74.68
    2-propoxyethanol 197.85
    tert-butanol 201.23
    MTBE 114.57
    2-butoxyethanol 108.37
    propionic acid 280.75
    o-xylene 67.0
    formic acid 523.2
    diethyl ether 151.34
    m-xylene 68.13
    p-xylene 55.48
    chlorobenzene 178.78
    dimethyl carbonate 59.28
    n-octane 4.1
    formamide 438.87
    cyclopentanone 282.08
    2-pentanone 137.7
    anisole 95.15
    cyclopentyl methyl ether 149.26
    gamma-butyrolactone 348.67
    1-methoxy-2-propanol 250.0
    pyridine 311.66
    3-pentanone 111.93
    furfural 392.73
    n-dodecane 4.34
    diethylene glycol 200.36
    diisopropyl ether 33.04
    tert-amyl alcohol 174.36
    acetylacetone 129.71
    n-hexadecane 4.78
    acetophenone 92.83
    methyl propionate 137.65
    isopentyl acetate 58.73
    trichloroethylene 542.32
    n-nonanol 45.43
    cyclohexanol 156.18
    benzyl alcohol 119.67
    2-ethylhexanol 48.84
    isooctanol 39.86
    dipropyl ether 44.21
    1,2-dichlorobenzene 141.77
    ethyl lactate 51.86
    propylene carbonate 160.08
    n-methylformamide 339.17
    2-pentanol 138.12
    n-pentane 21.9
    1-propoxy-2-propanol 107.72
    1-methoxy-2-propyl acetate 81.12
    2-(2-methoxypropoxy) propanol 106.83
    mesitylene 37.08
    ε-caprolactone 197.77
    p-cymene 26.38
    epichlorohydrin 352.89
    1,1,1-trichloroethane 236.1
    2-aminoethanol 303.58
    morpholine-4-carbaldehyde 358.18
    sulfolane 325.09
    2,2,4-trimethylpentane 11.82
    2-methyltetrahydrofuran 271.39
    n-hexyl acetate 87.17
    isooctane 7.14
    2-(2-butoxyethoxy)ethanol 145.6
    sec-butyl acetate 46.74
    tert-butyl acetate 68.07
    decalin 11.7
    glycerin 216.25
    diglyme 220.44
    acrylic acid 288.37
    isopropyl myristate 31.6
    n-butyric acid 253.04
    acetyl acetate 104.65
    di(2-ethylhexyl) phthalate 46.07
    ethyl propionate 58.47
    nitromethane 554.33
    1,2-diethoxyethane 101.79
    benzonitrile 167.15
    trioctyl phosphate 27.81
    1-bromopropane 174.09
    gamma-valerolactone 338.39
    n-decanol 33.29
    triethyl phosphate 34.91
    4-methyl-2-pentanol 64.99
    propionitrile 215.52
    vinylene carbonate 176.52
    1,1,2-trichlorotrifluoroethane 275.75
    DMS 75.49
    cumene 29.78
    2-octanol 33.78
    2-hexanone 75.24
    octyl acetate 43.39
    limonene 36.91
    1,2-dimethoxyethane 202.81
    ethyl orthosilicate 33.82
    tributyl phosphate 37.44
    diacetone alcohol 97.38
    N,N-dimethylaniline 72.11
    acrylonitrile 274.4
    aniline 190.47
    1,3-propanediol 284.73
    bromobenzene 164.59
    dibromomethane 428.51
    1,1,2,2-tetrachloroethane 350.02
    2-methyl-cyclohexyl acetate 50.38
    tetrabutyl urea 48.13
    diisobutyl methanol 28.42
    2-phenylethanol 88.02
    styrene 55.79
    dioctyl adipate 48.86
    dimethyl sulfate 108.3
    ethyl butyrate 49.39
    methyl lactate 89.16
    butyl lactate 53.84
    diethyl carbonate 39.98
    propanediol butyl ether 103.54
    triethyl orthoformate 40.62
    p-tert-butyltoluene 24.24
    methyl 4-tert-butylbenzoate 78.21
    morpholine 322.13
    tert-butylamine 130.73
    n-dodecanol 25.21
    dimethoxymethane 189.61
    ethylene carbonate 125.7
    cyrene 108.87
    2-ethoxyethyl acetate 95.24
    2-ethylhexyl acetate 47.08
    1,2,4-trichlorobenzene 174.15
    4-methylpyridine 293.14
    dibutyl ether 46.24
    2,6-dimethyl-4-heptanol 28.42
    DEF 187.26
    dimethyl isosorbide 144.13
    tetrachloroethylene 237.22
    eugenol 88.96
    triacetin 87.49
    span 80 87.32
    1,4-butanediol 135.27
    1,1-dichloroethane 311.68
    2-methyl-1-pentanol 138.36
    methyl formate 206.52
    2-methyl-1-butanol 198.11
    n-decane 6.68
    butyronitrile 199.91
    3,7-dimethyl-1-octanol 49.07
    1-chlorooctane 28.23
    1-chlorotetradecane 12.33
    n-nonane 6.24
    undecane 5.25
    tert-butylcyclohexane 11.37
    cyclooctane 6.01
    cyclopentanol 206.91
    tetrahydropyran 208.83
    tert-amyl methyl ether 93.33
    2,5,8-trioxanonane 169.25
    1-hexene 54.22
    2-isopropoxyethanol 133.33
    2,2,2-trifluoroethanol 214.0
    methyl butyrate 83.44

    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