2-Pyrrolidinone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    616-45-5

    Molecular formula
    C4H7NO

    SMILES
    C1CC(=O)NC1

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Sweet 46.89%
    Nutty 46.87%
    Burnt 35.67%
    Caramellic 35.07%
    Spicy 34.69%
    Fishy 32.91%
    Popcorn 32.36%
    Roasted 31.42%
    Odorless 27.89%
    Animal 20.92%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.8

    Molecular weight
    85.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 25.0 °C
    • 23 °C
    • 25 °C

    Boiling point

    • 245 °C @ 760 mm Hg; 113-114 @ 9.2 mm Hg; 76 °C @ 0.2 mm Hg
    • 245 °C

    Flash point est.
    107.48 ˚C

    Flash point expt.

    • 265 °F (129 °C) (open cup)
    • 129 °C o.c.

    Solubility expt.

    • Very sol in alcohol, ether, benzene, chloroform, carbon disulfide
    • Infinitely soluble in water
    • 1000 mg/mL at 20 °C
    • Solubility in water: good

  • Synonyms

    • pyrrolidin-2-one
    • 2-Pyrrolidinone
    • 616-45-5
    • 2-PYRROLIDONE
    • Pyrrolidone
    • Butyrolactam
    • 2-Oxopyrrolidine
    • Pyrrolidon
    • PYRROLIDINONE
    • 2-Ketopyrrolidine
    • 2-Pyrol
    • gamma-Butyrolactam
    • alpha-Pyrrolidinone
    • 4-Aminobutyric acid lactam
    • gamma-Aminobutyric lactam
    • gamma-Aminobutyrolactam
    • .alpha.-Pyrrolidone
    • 2-Tetrahydropyrrolone
    • gamma-Aminobutyric acid lactam
    • .gamma.-Aminobutyrolactam
    • Butanoic acid, 4-amino-, lactam
    • Pyrrolidone-2
    • alpha-Pyrrolidone
    • pyrrolid-2-one
    • NSC 4593
    • NSC 8413
    • pyrrolidine-2-one
    • MFCD00005270
    • azacyclopentan-2-one
    • .gamma.-Butyrolactam
    • .alpha.-Pyrrolidinone
    • KKL5D39EOL
    • .gamma.-Aminobutyric lactam
    • DTXSID8027246
    • CHEBI:36592
    • NSC-4593
    • NSC-8413
    • Butanoic acid, lactam
    • 2-Pyrrolidinone, 99%
    • WLN: T5MVTJ
    • DTXCID707246
    • Pyrrolidon [German]
    • CAS-616-45-5
    • HSDB 2652
    • EINECS 210-483-1
    • UNII-KKL5D39EOL
    • butyrolactim
    • pyrollidone
    • 2pyrrolidinone
    • a-pyrrolidone
    • 2-pyrollidinone
    • 2-pyrolidinone
    • 2-pyrrolidinon
    • Aminobutyrolactam
    • Soluphor P
    • pyrrolidin-2-on
    • 2-pyrrolidin-one
    • pyrolidine-2-one
    • pyrollidin-2-one
    • Tetrahydropyrrolone
    • 2-oxo-pyrrolidine
    • Aminobutyric lactam
    • 2-Azacyclopentanone
    • 2-Oxo-4-butyrolactam
    • Aminobutyric acid lactam
    • 1-azacyclopentan-2-one
    • 2-Pyrrolidone-Butyrolactam
    • EC 210-483-1
    • 2-pyrrolidone for synthesis
    • 2-Pyrrolidinone, >=99%
    • NCIOpen2_000687
    • PYRROLIDONE [MART.]
    • 2-PYRROLIDONE [MI]
    • 2-PYRROLIDONE [HSDB]
    • CHEMBL276849
    • FEMA NO. 4829
    • .gamma.-Aminobutyric acid lactam
    • NSC4593
    • NSC8413
    • 2-Pyrol4-aminobutyric acid lactam
    • PYRROLIDONE [EP MONOGRAPH]
    • Pyrrolidin-2-one (2-Pyrrolidone)
    • BCP26683
    • HY-Y1831
    • EINECS 245-100-7
    • Tox21_201630
    • Tox21_303259
    • STL197473
    • AKOS000119138
    • FG-0424
    • FP15418
    • 2-PYRROLIDONE MFC4 H7 N1 O1
    • NCGC00249089-01
    • NCGC00257072-01
    • NCGC00259179-01
    • PD078398
    • POVIDONE IMPURITY B [EP IMPURITY]
    • 2-Pyrrolidinone, purum, >=98.0% (GC)
    • COPOVIDONE IMPURITY A [EP IMPURITY]
    • Pyrrolidin-2-one (1-aza-2-cyclopentanone)
    • CS-0019427
    • NS00007032
    • P0575
    • EN300-19119
    • A15700
    • D96808
    • Q285640
    • 2-Azacyclopentanone;2-Ketopyrrolidine;gamma-Butyrolactam
    • F0001-1634
    • Z104472846
    • Hydrogen tribromide, compound with pyrrolidin-2-one (1:3)
    • Pyrrolidone, European Pharmacopoeia (EP) Reference Standard
    • InChI=1/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6

  • Applications

    2-Pyrrolidinone (CAS 616-45-5) is a highly polar cyclic lactam with a faint odor that finds versatile use across industry and research: it is the key feedstock for producing N-vinyl-2-pyrrolidone and polyvinylpyrrolidone polymers valued for their film-forming, humectant and binding properties in pharmaceuticals, cosmetics and food; it serves as a high-performance solvent for epoxy, polyurethane, acrylic and cellulose resins as well as dyes, printing inks and cleaning formulations because of its strong solvency and high boiling point; it is incorporated into paint strippers, pesticides, deodorants, lithium-ion battery electrolytes and CO₂ capture solutions; and it functions as an intermediate in the synthesis of active pharmaceutical ingredients such as piracetam, α-pyrrolidone and dofetilide, enabling efficient, high-purity drug manufacture.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 371.97
    methanol 980.42
    isopropanol 165.11
    water 641.44
    ethyl acetate 27.68
    n-propanol 171.1
    acetone 97.19
    n-butanol 123.79
    acetonitrile 76.33
    DMF 431.92
    toluene 7.5
    isobutanol 117.1
    1,4-dioxane 75.0
    methyl acetate 39.54
    THF 101.06
    2-butanone 49.07
    n-pentanol 85.3
    sec-butanol 101.18
    n-hexane 2.41
    ethylene glycol 330.1
    NMP 277.57
    cyclohexane 1.69
    DMSO 273.28
    n-butyl acetate 29.53
    n-octanol 39.12
    chloroform 107.74
    n-propyl acetate 26.05
    acetic acid 749.77
    dichloromethane 94.33
    cyclohexanone 70.5
    propylene glycol 269.9
    isopropyl acetate 20.29
    DMAc 256.24
    2-ethoxyethanol 170.63
    isopentanol 89.5
    n-heptane 2.11
    ethyl formate 68.94
    1,2-dichloroethane 34.15
    n-hexanol 57.4
    2-methoxyethanol 322.36
    isobutyl acetate 18.69
    tetrachloromethane 13.46
    n-pentyl acetate 29.85
    transcutol 343.72
    n-heptanol 39.81
    ethylbenzene 6.13
    MIBK 26.77
    2-propoxyethanol 136.54
    tert-butanol 110.0
    MTBE 29.47
    2-butoxyethanol 95.7
    propionic acid 196.7
    o-xylene 8.78
    formic acid 936.19
    diethyl ether 19.87
    m-xylene 8.47
    p-xylene 10.75
    chlorobenzene 22.64
    dimethyl carbonate 24.1
    n-octane 1.26
    formamide 533.86
    cyclopentanone 109.28
    2-pentanone 33.99
    anisole 24.8
    cyclopentyl methyl ether 28.68
    gamma-butyrolactone 152.95
    1-methoxy-2-propanol 185.42
    pyridine 72.83
    3-pentanone 18.97
    furfural 200.35
    n-dodecane 1.42
    diethylene glycol 184.09
    diisopropyl ether 6.46
    tert-amyl alcohol 88.82
    acetylacetone 41.49
    n-hexadecane 1.48
    acetophenone 36.2
    methyl propionate 32.83
    isopentyl acetate 28.65
    trichloroethylene 85.57
    n-nonanol 31.61
    cyclohexanol 51.62
    benzyl alcohol 56.83
    2-ethylhexanol 25.83
    isooctanol 30.51
    dipropyl ether 13.46
    1,2-dichlorobenzene 25.05
    ethyl lactate 38.68
    propylene carbonate 83.1
    n-methylformamide 303.69
    2-pentanol 53.08
    n-pentane 2.45
    1-propoxy-2-propanol 80.5
    1-methoxy-2-propyl acetate 38.07
    2-(2-methoxypropoxy) propanol 83.45
    mesitylene 6.19
    ε-caprolactone 73.25
    p-cymene 7.29
    epichlorohydrin 99.66
    1,1,1-trichloroethane 22.91
    2-aminoethanol 364.91
    morpholine-4-carbaldehyde 216.94
    sulfolane 178.73
    2,2,4-trimethylpentane 2.65
    2-methyltetrahydrofuran 56.49
    n-hexyl acetate 41.04
    isooctane 1.82
    2-(2-butoxyethoxy)ethanol 116.73
    sec-butyl acetate 15.88
    tert-butyl acetate 21.0
    decalin 1.97
    glycerin 366.07
    diglyme 162.61
    acrylic acid 268.88
    isopropyl myristate 13.93
    n-butyric acid 160.41
    acetyl acetate 28.02
    di(2-ethylhexyl) phthalate 31.28
    ethyl propionate 19.28
    nitromethane 368.98
    1,2-diethoxyethane 38.4
    benzonitrile 52.26
    trioctyl phosphate 19.76
    1-bromopropane 16.25
    gamma-valerolactone 170.61
    n-decanol 22.01
    triethyl phosphate 15.65
    4-methyl-2-pentanol 31.69
    propionitrile 51.34
    vinylene carbonate 97.43
    1,1,2-trichlorotrifluoroethane 183.15
    DMS 32.43
    cumene 6.89
    2-octanol 24.18
    2-hexanone 29.99
    octyl acetate 21.98
    limonene 9.84
    1,2-dimethoxyethane 113.66
    ethyl orthosilicate 14.78
    tributyl phosphate 24.14
    diacetone alcohol 57.46
    N,N-dimethylaniline 24.33
    acrylonitrile 96.77
    aniline 38.62
    1,3-propanediol 273.81
    bromobenzene 14.54
    dibromomethane 42.19
    1,1,2,2-tetrachloroethane 65.19
    2-methyl-cyclohexyl acetate 22.38
    tetrabutyl urea 32.47
    diisobutyl methanol 13.66
    2-phenylethanol 42.56
    styrene 8.63
    dioctyl adipate 26.29
    dimethyl sulfate 53.04
    ethyl butyrate 21.77
    methyl lactate 67.66
    butyl lactate 46.37
    diethyl carbonate 16.69
    propanediol butyl ether 141.66
    triethyl orthoformate 19.11
    p-tert-butyltoluene 6.55
    methyl 4-tert-butylbenzoate 46.31
    morpholine 112.34
    tert-butylamine 51.6
    n-dodecanol 15.66
    dimethoxymethane 82.61
    ethylene carbonate 62.27
    cyrene 86.15
    2-ethoxyethyl acetate 43.4
    2-ethylhexyl acetate 21.01
    1,2,4-trichlorobenzene 32.58
    4-methylpyridine 59.69
    dibutyl ether 15.93
    2,6-dimethyl-4-heptanol 13.66
    DEF 65.52
    dimethyl isosorbide 82.61
    tetrachloroethylene 51.45
    eugenol 66.67
    triacetin 50.65
    span 80 79.21
    1,4-butanediol 153.82
    1,1-dichloroethane 32.42
    2-methyl-1-pentanol 66.78
    methyl formate 171.14
    2-methyl-1-butanol 91.81
    n-decane 2.06
    butyronitrile 53.96
    3,7-dimethyl-1-octanol 32.93
    1-chlorooctane 8.65
    1-chlorotetradecane 3.81
    n-nonane 1.86
    undecane 1.64
    tert-butylcyclohexane 2.35
    cyclooctane 0.79
    cyclopentanol 90.55
    tetrahydropyran 37.53
    tert-amyl methyl ether 23.99
    2,5,8-trioxanonane 117.86
    1-hexene 9.3
    2-isopropoxyethanol 91.0
    2,2,2-trifluoroethanol 253.62
    methyl butyrate 33.04

    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

Botanical

Name CAS Botanical Proportion
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.01%