Pyrrolidine

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  • Identifiers

    CAS number
    123-75-1

    Molecular formula
    C4H9N

    SMILES
    C1CCNC1

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fishy 82.02%
    Animal 62.78%
    Cheesy 46.88%
    Sweet 37.79%
    Floral 32.16%
    Ripe 27.49%
    Popcorn 27.48%
    Nutty 27.04%
    Musty 22.82%
    Roasted 19.65%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    71.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -57.79 °C
    • -63 °C

    Boiling point

    • 86.56 °C
    • 87.00 to 88.00 °C. @ 760.00 mm Hg
    • 89 °C

    Flash point est.
    1.35 ˚C

    Flash point expt.

    • 37 °F (NFPA, 2010)
    • 37 °F
    • 37 °F (3 °C) (CLOSED CUP)
    • 3 °C

    Solubility expt.

    • Soluble in ethanol, ethyl ether; slightly soluble in benzene, chloroform
    • In water, 1.0X10+6 mg/L (miscible) at 20 °C
    • 1.00E+06 mg/L @ 20 °C (exp)
    • Solubility in water: miscible
    • Soluble in water, fats
    • Soluble (in ethanol)

  • Synonyms

    • PYRROLIDINE
    • 123-75-1
    • Tetrahydro pyrrole
    • Tetrahydropyrrole
    • Azacyclopentane
    • Azolidine
    • Tetramethylenimine
    • Butylenimine
    • Perhydropyrrole
    • Prolamine
    • 1-Azacyclopentane
    • Pyrrolidine ring
    • Pyrrole, tetrahydro-
    • Tetramethyleneimine
    • FEMA No. 3523
    • NSC 62781
    • CCRIS 6688
    • HSDB 120
    • UNII-LJU5627FYV
    • EINECS 204-648-7
    • LJU5627FYV
    • MFCD00005249
    • BRN 0102395
    • CHEBI:33135
    • AI3-24117
    • NSC-62781
    • CHEMBL22830
    • DTXSID3059559
    • EC 204-648-7
    • 5-20-01-00162 (Beilstein Handbook Reference)
    • tetrahydropyrrol
    • pyrrolidin
    • UN1922
    • pyrolidine
    • pyrollidine
    • pyrroldine
    • pyrrolodine
    • Pirrolidine
    • Pyrrollidine
    • (s)-pyrrolidine
    • 14-pyrrolidine
    • Pyrrolidine, FG
    • Pyrrole, tetrahydro
    • Pyrrolidine, 99%
    • Pyrrolidinepyrrolidine
    • Pyrrolidine, >=99%
    • PYRROLIDINE [MI]
    • 1-Pyrrolidinobutyronitrile
    • WLN: T5MTJ
    • PYRROLIDINE [FHFI]
    • PYRROLIDINE [HSDB]
    • NCIOpen2_007788
    • UPCMLD00WV-121
    • pyrrolidine LT phase at 135K
    • pyrrolidine LT phase at 205K
    • Pyrrolidine, distilled in glass
    • DTXCID6033796
    • FEMA 3523
    • Pyrrolidine - HT phase at 165K
    • Pyrrolidine - HT phase at 207K
    • NSC62781
    • STR00030
    • BDBM50026437
    • STL182845
    • Azacyclopentane;Azolidine;Butylenimine
    • AKOS000119098
    • FP27355
    • UN 1922
    • Pyrrolidine, puriss. p.a., >=99.0%
    • Pyrrolidine, analytical reference material
    • DB-000672
    • NS00005827
    • P0576
    • Pyrrolidine - low temperature phase at 135K
    • Pyrrolidine - low temperature phase at 205K
    • Pyrrolidine [UN1922] [Flammable liquid]
    • EN300-18294
    • Pyrrolidine - high temperature phase at 165K
    • Pyrrolidine - high temperature phase at 207K
    • Pyrrolidine, >=99.5%, purified by redistillation
    • Q408898
    • InChI=1/C4H9N/c1-2-4-5-3-1/h5H,1-4H
    • Z57834050
    • F2190-0325
    • 204-648-7
    • 89014-29-9

  • Applications

    Pyrrolidine (CAS 123-75-1) is a five-membered nitrogen heterocycle widely employed as a versatile intermediate in the synthesis of pharmaceuticals (anti-inflammatory, antiviral, neuroactive agents), agrochemicals, food additives, a selective solvent in petrochemical extraction, a precursor for organocatalysts (e.g., proline-derived catalysts for asymmetric aldol reactions), a metal-corrosion inhibitor, a ring-forming monomer for producing polyvinylpyrrolidone, an antifoaming and flow-stabilizing agent in oil recovery, a phase-transfer reagent, a modifier of optical properties in advanced materials, as well as an important building block in advanced material synthesis, chemical sensors, computational chemistry studies, and the development of next-generation energy storage batteries.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 660.05
    methanol 870.44
    isopropanol 392.28
    water 18.94
    ethyl acetate 171.13
    n-propanol 470.93
    acetone 335.49
    n-butanol 419.15
    acetonitrile 205.47
    DMF 427.68
    toluene 50.81
    isobutanol 268.22
    1,4-dioxane 271.72
    methyl acetate 192.92
    THF 556.57
    2-butanone 210.63
    n-pentanol 204.17
    sec-butanol 287.45
    n-hexane 40.2
    ethylene glycol 347.02
    NMP 372.85
    cyclohexane 61.43
    DMSO 444.5
    n-butyl acetate 212.49
    n-octanol 110.46
    chloroform 594.92
    n-propyl acetate 108.99
    acetic acid 1063.72
    dichloromethane 364.92
    cyclohexanone 268.78
    propylene glycol 399.83
    isopropyl acetate 89.64
    DMAc 270.54
    2-ethoxyethanol 254.74
    isopentanol 208.26
    n-heptane 80.5
    ethyl formate 152.9
    1,2-dichloroethane 183.82
    n-hexanol 333.03
    2-methoxyethanol 513.65
    isobutyl acetate 67.7
    tetrachloromethane 142.12
    n-pentyl acetate 81.76
    transcutol 459.64
    n-heptanol 129.36
    ethylbenzene 21.28
    MIBK 68.82
    2-propoxyethanol 451.95
    tert-butanol 268.14
    MTBE 117.51
    2-butoxyethanol 217.73
    propionic acid 512.54
    o-xylene 35.33
    formic acid 462.13
    diethyl ether 169.24
    m-xylene 35.12
    p-xylene 31.48
    chlorobenzene 98.83
    dimethyl carbonate 68.74
    n-octane 19.83
    formamide 313.9
    cyclopentanone 398.76
    2-pentanone 165.34
    anisole 59.64
    cyclopentyl methyl ether 216.12
    gamma-butyrolactone 426.1
    1-methoxy-2-propanol 334.54
    pyridine 268.93
    3-pentanone 131.07
    furfural 323.08
    n-dodecane 13.06
    diethylene glycol 382.06
    diisopropyl ether 42.98
    tert-amyl alcohol 200.83
    acetylacetone 134.56
    n-hexadecane 13.54
    acetophenone 63.46
    methyl propionate 162.41
    isopentyl acetate 126.59
    trichloroethylene 361.58
    n-nonanol 95.22
    cyclohexanol 241.43
    benzyl alcohol 87.13
    2-ethylhexanol 160.43
    isooctanol 82.53
    dipropyl ether 199.98
    1,2-dichlorobenzene 79.82
    ethyl lactate 85.48
    propylene carbonate 211.89
    n-methylformamide 341.62
    2-pentanol 214.28
    n-pentane 55.02
    1-propoxy-2-propanol 354.76
    1-methoxy-2-propyl acetate 157.72
    2-(2-methoxypropoxy) propanol 128.0
    mesitylene 22.24
    ε-caprolactone 219.11
    p-cymene 41.01
    epichlorohydrin 278.09
    1,1,1-trichloroethane 192.12
    2-aminoethanol 494.22
    morpholine-4-carbaldehyde 300.99
    sulfolane 409.74
    2,2,4-trimethylpentane 18.92
    2-methyltetrahydrofuran 311.65
    n-hexyl acetate 101.85
    isooctane 12.98
    2-(2-butoxyethoxy)ethanol 197.43
    sec-butyl acetate 56.86
    tert-butyl acetate 76.2
    decalin 16.44
    glycerin 472.44
    diglyme 297.17
    acrylic acid 516.82
    isopropyl myristate 42.08
    n-butyric acid 468.48
    acetyl acetate 117.35
    di(2-ethylhexyl) phthalate 51.01
    ethyl propionate 84.41
    nitromethane 524.07
    1,2-diethoxyethane 139.39
    benzonitrile 97.99
    trioctyl phosphate 42.88
    1-bromopropane 145.33
    gamma-valerolactone 355.7
    n-decanol 70.86
    triethyl phosphate 51.55
    4-methyl-2-pentanol 83.71
    propionitrile 190.77
    vinylene carbonate 181.75
    1,1,2-trichlorotrifluoroethane 435.26
    DMS 68.05
    cumene 18.86
    2-octanol 63.92
    2-hexanone 105.3
    octyl acetate 63.86
    limonene 78.26
    1,2-dimethoxyethane 215.29
    ethyl orthosilicate 54.59
    tributyl phosphate 50.44
    diacetone alcohol 130.29
    N,N-dimethylaniline 47.19
    acrylonitrile 228.09
    aniline 139.62
    1,3-propanediol 422.52
    bromobenzene 78.47
    dibromomethane 262.73
    1,1,2,2-tetrachloroethane 312.23
    2-methyl-cyclohexyl acetate 86.07
    tetrabutyl urea 66.2
    diisobutyl methanol 66.58
    2-phenylethanol 120.74
    styrene 33.52
    dioctyl adipate 65.5
    dimethyl sulfate 95.59
    ethyl butyrate 120.09
    methyl lactate 151.79
    butyl lactate 101.96
    diethyl carbonate 66.93
    propanediol butyl ether 199.3
    triethyl orthoformate 93.04
    p-tert-butyltoluene 40.13
    methyl 4-tert-butylbenzoate 76.39
    morpholine 389.54
    tert-butylamine 182.0
    n-dodecanol 55.2
    dimethoxymethane 188.96
    ethylene carbonate 147.23
    cyrene 104.69
    2-ethoxyethyl acetate 93.25
    2-ethylhexyl acetate 105.57
    1,2,4-trichlorobenzene 100.73
    4-methylpyridine 162.2
    dibutyl ether 89.47
    2,6-dimethyl-4-heptanol 66.58
    DEF 181.11
    dimethyl isosorbide 157.68
    tetrachloroethylene 261.39
    eugenol 87.85
    triacetin 97.47
    span 80 166.23
    1,4-butanediol 192.0
    1,1-dichloroethane 213.22
    2-methyl-1-pentanol 110.55
    methyl formate 205.94
    2-methyl-1-butanol 216.61
    n-decane 22.3
    butyronitrile 185.57
    3,7-dimethyl-1-octanol 86.98
    1-chlorooctane 55.42
    1-chlorotetradecane 23.08
    n-nonane 23.15
    undecane 15.94
    tert-butylcyclohexane 16.78
    cyclooctane 21.0
    cyclopentanol 352.57
    tetrahydropyran 311.04
    tert-amyl methyl ether 94.87
    2,5,8-trioxanonane 204.66
    1-hexene 88.15
    2-isopropoxyethanol 149.72
    2,2,2-trifluoroethanol 319.46
    methyl butyrate 109.66

    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