2-Methyl-1-pyrroline

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  • Identifiers

    CAS number
    872-32-2

    Molecular formula
    C5H9N

    SMILES
    CC1=NCCC1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 63.77%
    Roasted 63.22%
    Musty 50.39%
    Meaty 46.3%
    Fishy 45.93%
    Vegetable 43.9%
    Earthy 39.19%
    Burnt 37.72%
    Cocoa 37.69%
    Popcorn 35.9%

     

    Flavor
    Green 35.73%
    Roasted 32.09%
    Woody 25.89%
    Vegetable 25.46%
    Nutty 25.25%
    Shrimp 24.04%
    Earthy 23.66%
    Spicy 23.62%
    Musty 23.5%
    Wood 22.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.0

    pKa est.
    8.59 (weak base)

    Molecular weight
    83.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    115°C

    Flash point

    • 17.0 ˚C est.

  • Synonyms

    • 2-Methyl-1-pyrroline
    • 872-32-2
    • 5-methyl-3,4-dihydro-2H-pyrrole
    • 3,4-Dihydro-5-methyl-2H-pyrrole
    • 2H-pyrrole, 3,4-dihydro-5-methyl-
    • EINECS 212-822-9
    • PUN2A487KL
    • MFCD00128806
    • CHEBI:78856
    • DTXSID30236173
    • 4,5-DIHYDRO-2-METHYL-3H-PYRROLE
    • 1PYRROLINE2methyl
    • 3,4-Dihydro-5-methyl-2H-pyrrole;2-Methyl-1-pyrroline;2-Methyl-delta1-pyrroline;4,5-Dihydro-2-methyl-3H-pyrrole;5-Methyl-3,4-dihydro-2H-pyrrole;
    • UNII-PUN2A487KL
    • 2-Methyl-1-pyrroline, 95%
    • DTXCID30158664
    • BCP30418
    • GEO-03009
    • AKOS015842565
    • GS-4420
    • SY015490
    • NS00042607
    • EN300-83386
    • C20808
    • Q27147999
    • 5-methyl-3,4-dihydro-2H-pyrrole pound>>3,4-Dihydro-5-methyl-2H-pyrrole pound>>2H-pyrrole, 3,4-dihydro-5-methyl-

  • Applications

    2-Methyl-1-pyrroline is a versatile enamine-based intermediate used as a building block in the synthesis of pyrroline-containing heterocycles. In perfumery and cosmetics, it is commonly evaluated as a fragrance intermediate and precursor for aroma compounds. In flavor and food chemistry, it can serve as a fragrance or aroma precursor to help develop products with specific aroma profiles. In pharmaceutical and agrochemical development, it provides a synthetic foundation for pyrroline-containing scaffolds and related heterocycles. In the polymers and coatings sector, it can be used to prepare specialty monomers and intermediates for polymers and surface coatings. In research and development, it supports route exploration for novel heterocyclic chemistries. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1212.61
    methanol 1516.52
    isopropanol 774.36
    water 28.92
    ethyl acetate 922.03
    n-propanol 872.83
    acetone 1077.92
    n-butanol 674.87
    acetonitrile 1318.1
    DMF 1191.14
    toluene 539.59
    isobutanol 527.72
    1,4-dioxane 1430.26
    methyl acetate 956.43
    THF 1279.4
    2-butanone 835.46
    n-pentanol 409.62
    sec-butanol 629.54
    n-hexane 90.18
    ethylene glycol 473.8
    NMP 933.46
    cyclohexane 145.17
    DMSO 953.0
    n-butyl acetate 358.03
    n-octanol 226.34
    chloroform 3564.48
    n-propyl acetate 248.77
    acetic acid 1299.34
    dichloromethane 2401.11
    cyclohexanone 763.72
    propylene glycol 634.64
    isopropyl acetate 380.44
    DMAc 1066.82
    2-ethoxyethanol 622.56
    isopentanol 397.29
    n-heptane 91.39
    ethyl formate 463.52
    1,2-dichloroethane 961.96
    n-hexanol 459.03
    2-methoxyethanol 1177.34
    isobutyl acetate 147.17
    tetrachloromethane 670.98
    n-pentyl acetate 231.67
    transcutol 1535.72
    n-heptanol 225.76
    ethylbenzene 161.19
    MIBK 242.88
    2-propoxyethanol 770.09
    tert-butanol 586.32
    MTBE 440.97
    2-butoxyethanol 411.7
    propionic acid 890.25
    o-xylene 277.41
    formic acid 584.73
    diethyl ether 751.56
    m-xylene 257.01
    p-xylene 206.17
    chlorobenzene 643.25
    dimethyl carbonate 275.8
    n-octane 32.57
    formamide 664.48
    cyclopentanone 906.3
    2-pentanone 573.45
    anisole 390.65
    cyclopentyl methyl ether 549.75
    gamma-butyrolactone 962.91
    1-methoxy-2-propanol 856.0
    pyridine 1488.32
    3-pentanone 553.77
    furfural 1035.75
    n-dodecane 27.35
    diethylene glycol 647.77
    diisopropyl ether 148.09
    tert-amyl alcohol 463.29
    acetylacetone 601.12
    n-hexadecane 29.65
    acetophenone 309.75
    methyl propionate 702.76
    isopentyl acetate 235.15
    trichloroethylene 1962.39
    n-nonanol 198.77
    cyclohexanol 456.07
    benzyl alcohol 405.19
    2-ethylhexanol 214.47
    isooctanol 150.16
    dipropyl ether 303.67
    1,2-dichlorobenzene 500.62
    ethyl lactate 167.43
    propylene carbonate 485.7
    n-methylformamide 819.32
    2-pentanol 398.58
    n-pentane 125.06
    1-propoxy-2-propanol 497.05
    1-methoxy-2-propyl acetate 377.35
    2-(2-methoxypropoxy) propanol 305.31
    mesitylene 124.06
    ε-caprolactone 653.43
    p-cymene 114.34
    epichlorohydrin 1095.87
    1,1,1-trichloroethane 1239.03
    2-aminoethanol 774.06
    morpholine-4-carbaldehyde 1076.66
    sulfolane 764.51
    2,2,4-trimethylpentane 48.34
    2-methyltetrahydrofuran 903.72
    n-hexyl acetate 314.96
    isooctane 26.87
    2-(2-butoxyethoxy)ethanol 453.33
    sec-butyl acetate 164.6
    tert-butyl acetate 261.48
    decalin 52.17
    glycerin 659.12
    diglyme 734.22
    acrylic acid 885.3
    isopropyl myristate 114.23
    n-butyric acid 877.47
    acetyl acetate 528.7
    di(2-ethylhexyl) phthalate 122.23
    ethyl propionate 277.84
    nitromethane 1566.19
    1,2-diethoxyethane 480.44
    benzonitrile 545.8
    trioctyl phosphate 77.76
    1-bromopropane 695.91
    gamma-valerolactone 1069.5
    n-decanol 139.2
    triethyl phosphate 101.39
    4-methyl-2-pentanol 174.81
    propionitrile 850.63
    vinylene carbonate 495.39
    1,1,2-trichlorotrifluoroethane 997.81
    DMS 268.88
    cumene 98.22
    2-octanol 133.32
    2-hexanone 268.28
    octyl acetate 165.02
    limonene 177.39
    1,2-dimethoxyethane 643.56
    ethyl orthosilicate 101.0
    tributyl phosphate 96.34
    diacetone alcohol 344.69
    N,N-dimethylaniline 230.95
    acrylonitrile 1052.02
    aniline 777.11
    1,3-propanediol 688.74
    bromobenzene 655.65
    dibromomethane 1589.94
    1,1,2,2-tetrachloroethane 1531.1
    2-methyl-cyclohexyl acetate 149.38
    tetrabutyl urea 128.57
    diisobutyl methanol 109.72
    2-phenylethanol 361.8
    styrene 267.93
    dioctyl adipate 152.0
    dimethyl sulfate 348.92
    ethyl butyrate 240.9
    methyl lactate 372.28
    butyl lactate 196.61
    diethyl carbonate 147.78
    propanediol butyl ether 344.4
    triethyl orthoformate 164.19
    p-tert-butyltoluene 112.17
    methyl 4-tert-butylbenzoate 244.26
    morpholine 1554.09
    tert-butylamine 406.34
    n-dodecanol 104.64
    dimethoxymethane 662.26
    ethylene carbonate 388.66
    cyrene 231.17
    2-ethoxyethyl acetate 381.9
    2-ethylhexyl acetate 191.88
    1,2,4-trichlorobenzene 597.95
    4-methylpyridine 1124.33
    dibutyl ether 236.27
    2,6-dimethyl-4-heptanol 109.72
    DEF 680.87
    dimethyl isosorbide 341.27
    tetrachloroethylene 1074.02
    eugenol 251.59
    triacetin 301.76
    span 80 307.01
    1,4-butanediol 312.09
    1,1-dichloroethane 1430.31
    2-methyl-1-pentanol 272.79
    methyl formate 489.94
    2-methyl-1-butanol 417.57
    n-decane 47.68
    butyronitrile 692.32
    3,7-dimethyl-1-octanol 187.9
    1-chlorooctane 153.31
    1-chlorotetradecane 59.38
    n-nonane 47.37
    undecane 34.51
    tert-butylcyclohexane 45.49
    cyclooctane 49.64
    cyclopentanol 576.04
    tetrahydropyran 1016.66
    tert-amyl methyl ether 315.26
    2,5,8-trioxanonane 497.96
    1-hexene 243.95
    2-isopropoxyethanol 366.19
    2,2,2-trifluoroethanol 465.18
    methyl butyrate 301.68

    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