Pyrroline

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  • Identifiers

    CAS number
    28350-87-0

    Molecular formula
    C4H7N

    SMILES
    C1CNC=C1

  • Odor profile

    Fragrance
    Fishy 67.64%
    Roasted 43.18%
    Nutty 42.98%
    Popcorn 38.6%
    Cheesy 38.6%
    Animal 35.79%
    Meaty 33.48%
    Pungent 27.56%
    Burnt 25.35%
    Musty 24.57%

     

    Flavor
    Bitter 46.75%
    Animal 42.1%
    Ammoniacal 40.39%
    Amine 36.7%
    Floral 32.51%
    Alkaline 26.78%
    Shrimp 25.68%
    Egg 24.77%
    Sweet 21.54%
    Fishy 20.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    6.97 (neutral)

    Molecular weight
    69.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    110°C

    Flash point

    • 20.12 ˚C est.

  • Synonyms

    • Pyrroline
    • 2,3-dihydro-1H-pyrrole
    • Dihydropyrrole
    • 2-pyrroline
    • 28350-87-0
    • Delta(2)-pyrroline
    • 638-31-3
    • 1H-Pyrrole, dihydro-
    • dihydro-1H-pyrrole
    • CHEBI:32986
    • DTXSID80182595
    • ZB1754
    • AKOS006370459
    • Q27115169

  • Applications

    Pyrroline (CAS 28350-87-0) is a small cyclic secondary amine primarily used as an organic-synthesis intermediate. It serves as a versatile building block for preparing more complex heterocycles, including pyrrolidines, and is commonly evaluated for routes to pharmaceutical and agrochemical intermediates. In industry, it is used as a reactive precursor in specialty polymers and coatings formulations, and as a starting material for further functionalization in process development and research settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 769.81
    methanol 984.82
    isopropanol 443.55
    water 47.18
    ethyl acetate 174.7
    n-propanol 473.29
    acetone 480.12
    n-butanol 376.71
    acetonitrile 282.7
    DMF 809.69
    toluene 50.93
    isobutanol 274.91
    1,4-dioxane 301.95
    methyl acetate 232.27
    THF 515.01
    2-butanone 267.53
    n-pentanol 218.18
    sec-butanol 297.41
    n-hexane 24.19
    ethylene glycol 498.52
    NMP 473.42
    cyclohexane 30.69
    DMSO 750.69
    n-butyl acetate 167.6
    n-octanol 101.67
    chloroform 356.55
    n-propyl acetate 107.77
    acetic acid 1055.73
    dichloromethane 249.69
    cyclohexanone 234.76
    propylene glycol 542.52
    isopropyl acetate 82.46
    DMAc 521.59
    2-ethoxyethanol 331.64
    isopentanol 202.3
    n-heptane 41.29
    ethyl formate 134.59
    1,2-dichloroethane 139.79
    n-hexanol 286.58
    2-methoxyethanol 637.17
    isobutyl acetate 68.26
    tetrachloromethane 82.35
    n-pentyl acetate 69.72
    transcutol 524.8
    n-heptanol 110.04
    ethylbenzene 20.09
    MIBK 82.44
    2-propoxyethanol 460.12
    tert-butanol 306.84
    MTBE 143.76
    2-butoxyethanol 205.42
    propionic acid 493.75
    o-xylene 37.23
    formic acid 591.2
    diethyl ether 176.91
    m-xylene 37.87
    p-xylene 29.98
    chlorobenzene 79.27
    dimethyl carbonate 97.72
    n-octane 11.03
    formamide 441.75
    cyclopentanone 382.64
    2-pentanone 191.81
    anisole 73.63
    cyclopentyl methyl ether 194.84
    gamma-butyrolactone 347.3
    1-methoxy-2-propanol 440.97
    pyridine 256.03
    3-pentanone 150.69
    furfural 285.31
    n-dodecane 8.76
    diethylene glycol 461.01
    diisopropyl ether 41.16
    tert-amyl alcohol 210.25
    acetylacetone 150.4
    n-hexadecane 9.04
    acetophenone 74.63
    methyl propionate 191.59
    isopentyl acetate 106.37
    trichloroethylene 270.58
    n-nonanol 83.91
    cyclohexanol 202.16
    benzyl alcohol 106.04
    2-ethylhexanol 125.46
    isooctanol 69.42
    dipropyl ether 148.46
    1,2-dichlorobenzene 61.17
    ethyl lactate 91.66
    propylene carbonate 152.91
    n-methylformamide 466.57
    2-pentanol 193.27
    n-pentane 33.51
    1-propoxy-2-propanol 310.33
    1-methoxy-2-propyl acetate 146.78
    2-(2-methoxypropoxy) propanol 145.53
    mesitylene 22.33
    ε-caprolactone 171.06
    p-cymene 32.2
    epichlorohydrin 264.05
    1,1,1-trichloroethane 130.79
    2-aminoethanol 619.34
    morpholine-4-carbaldehyde 396.88
    sulfolane 378.04
    2,2,4-trimethylpentane 14.62
    2-methyltetrahydrofuran 285.57
    n-hexyl acetate 92.36
    isooctane 10.88
    2-(2-butoxyethoxy)ethanol 211.28
    sec-butyl acetate 55.18
    tert-butyl acetate 71.88
    decalin 11.18
    glycerin 590.95
    diglyme 313.24
    acrylic acid 499.25
    isopropyl myristate 36.04
    n-butyric acid 363.2
    acetyl acetate 103.81
    di(2-ethylhexyl) phthalate 50.01
    ethyl propionate 83.01
    nitromethane 650.62
    1,2-diethoxyethane 142.5
    benzonitrile 95.61
    trioctyl phosphate 37.19
    1-bromopropane 102.0
    gamma-valerolactone 347.84
    n-decanol 64.32
    triethyl phosphate 41.93
    4-methyl-2-pentanol 81.81
    propionitrile 190.96
    vinylene carbonate 139.83
    1,1,2-trichlorotrifluoroethane 415.87
    DMS 76.96
    cumene 18.04
    2-octanol 56.0
    2-hexanone 122.93
    octyl acetate 57.12
    limonene 58.17
    1,2-dimethoxyethane 268.45
    ethyl orthosilicate 43.15
    tributyl phosphate 44.42
    diacetone alcohol 139.76
    N,N-dimethylaniline 60.71
    acrylonitrile 246.27
    aniline 146.7
    1,3-propanediol 467.3
    bromobenzene 60.2
    dibromomethane 161.85
    1,1,2,2-tetrachloroethane 232.14
    2-methyl-cyclohexyl acetate 68.54
    tetrabutyl urea 63.51
    diisobutyl methanol 52.31
    2-phenylethanol 120.82
    styrene 31.7
    dioctyl adipate 57.5
    dimethyl sulfate 145.5
    ethyl butyrate 91.67
    methyl lactate 176.72
    butyl lactate 84.6
    diethyl carbonate 53.8
    propanediol butyl ether 213.09
    triethyl orthoformate 68.65
    p-tert-butyltoluene 31.93
    methyl 4-tert-butylbenzoate 72.07
    morpholine 422.77
    tert-butylamine 181.55
    n-dodecanol 51.12
    dimethoxymethane 279.98
    ethylene carbonate 111.07
    cyrene 128.32
    2-ethoxyethyl acetate 98.91
    2-ethylhexyl acetate 84.11
    1,2,4-trichlorobenzene 79.27
    4-methylpyridine 167.93
    dibutyl ether 66.88
    2,6-dimethyl-4-heptanol 52.31
    DEF 218.22
    dimethyl isosorbide 156.87
    tetrachloroethylene 178.43
    eugenol 93.65
    triacetin 95.14
    span 80 159.08
    1,4-butanediol 251.27
    1,1-dichloroethane 163.96
    2-methyl-1-pentanol 128.61
    methyl formate 259.47
    2-methyl-1-butanol 217.3
    n-decane 13.88
    butyronitrile 166.62
    3,7-dimethyl-1-octanol 76.39
    1-chlorooctane 40.03
    1-chlorotetradecane 17.71
    n-nonane 13.6
    undecane 10.5
    tert-butylcyclohexane 11.92
    cyclooctane 11.29
    cyclopentanol 308.56
    tetrahydropyran 268.65
    tert-amyl methyl ether 109.12
    2,5,8-trioxanonane 232.59
    1-hexene 63.45
    2-isopropoxyethanol 195.83
    2,2,2-trifluoroethanol 314.34
    methyl butyrate 105.53

    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