N-Nitrosopyrrolidine

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  • Identifiers

    CAS number
    930-55-2

    Molecular formula
    C4H8N2O

    SMILES
    C1CCN(C1)N=O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Nutty 46.66%
    Popcorn 43.53%
    Fishy 42.59%
    Roasted 38.16%
    Odorless 34.62%
    Burnt 23.73%
    Pungent 22.12%
    Meaty 19.7%
    Musty 19.49%
    Cooked 19.02%

     

    Flavor
    Bitter 50.57%
    Roasted 34.34%
    Shrimp 23.43%
    Alkaline 23.33%
    Amine 23.06%
    Taco 23.06%
    Cereal 21.64%
    Roast 21.63%
    Bread crust 21.26%
    Clam 21.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    8.07 (weak base)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 417 °F at 760 mmHg (NTP, 1992)
    • 214 °C
    • BP: 104-106 °C at 20 mm Hg
    • 417 °F

    Flash point

    • 72.4 ˚C est.
    • 181 °F (NTP, 1992)
    • 181 °F

    Solubility expt.

    • Miscible with water
    • Soluble in org solvents and lipids
    • 1.00E+06 mg/L @ 24C (exp)

  • Synonyms

    • 1-Nitrosopyrrolidine
    • N-NITROSOPYRROLIDINE
    • 930-55-2
    • Pyrrolidine, 1-nitroso-
    • NPYR
    • No-pyr
    • Nitrosopyrrolidine
    • N-Nitrosopyrrolidin
    • N-PYR
    • 1-Pyrrolidinamine, N-nitroso-
    • Pyrrole, tetrahydro-N-nitroso-
    • DTXSID8021062
    • SZ4J5WK201
    • NSC-18797
    • Tetrahydro-N-nitroso-Pyrrole
    • DTXCID701062
    • NSC18797
    • N-N-PYR
    • N Nitrosopyrrolidine
    • RefChem:389135
    • 213-218-8
    • N-Nitroso-pyrrolidine
    • 1-nitroso-Pyrrolidine
    • NSC 18797
    • N-Nitrosopyrrolidine (NPYR)
    • MFCD00003166
    • 35884-45-8
    • RCRA waste number U180
    • CAS-930-55-2
    • N-Nitrosopyrrolidin [German]
    • CCRIS 478
    • Pyrrolidine, nitroso-
    • HSDB 5116
    • EINECS 213-218-8
    • RCRA waste no. U180
    • BRN 0107615
    • UNII-SZ4J5WK201
    • AI3-62030
    • Pyrrolidine, 1-nitroso-; 1-Nitrosopyrrolidine; N-Nitrosopyrrolidine; NPYR; NSC 18797
    • Nitroso-Pyrrolidine
    • WLN: T5NTJ ANO
    • 1-Nitrosopyrrolidine, 99%
    • N-Nitroso-1-Pyrrolidinamine
    • 5-20-01-00521 (Beilstein Handbook Reference)
    • SCHEMBL606668
    • CHEMBL351175
    • orb2664038
    • CHEBI:82362
    • N-NITROSOPYRROLIDINE [MI]
    • N-NITROSOPYRROLIDINE [HSDB]
    • N-NITROSOPYRROLIDINE [IARC]
    • Tox21_202356
    • Tox21_302913
    • MSK4908-100M
    • AKOS006227868
    • MSK4908-1000M
    • EBC-395106
    • FN26387
    • HY-W141077
    • NCGC00249214-01
    • NCGC00256421-01
    • NCGC00259905-01
    • BS-17894
    • SY115826
    • DB-057363
    • NS00010284
    • C19285
    • D82025
    • N-Nitrosopyrrolidine 10 microg/mL in Methanol
    • N-Nitrosopyrrolidine 100 microg/mL in Methanol
    • EN300-1296527
    • F546549
    • N-Nitrosopyrrolidine Solution in Methanol, 100_g/mL
    • N-Nitrosopyrrolidine Solution in Methanol, 1000_g/mL
    • Q22138421
    • InChI=1/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H
    • 930-55-2

  • Applications

    N-Nitrosopyrrolidine (CAS 930-55-2) is primarily used as an intermediate in organic synthesis, particularly in nitrosation-related workflows to access other nitrosamine compounds. In industrial settings it can serve as a building block for pharmaceutical and agrochemical research and process development. It is also encountered in analytical method development contexts as a reference material for nitrosamine detection and characterization. In laboratory research, it may be employed as a substrate or precursor in nitrosamine-forming sequences under controlled conditions. These applications are typically pursued under appropriate safety and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 85.29
    methanol 169.36
    isopropanol 42.7
    water 18.89
    ethyl acetate 33.47
    n-propanol 55.19
    acetone 73.56
    n-butanol 45.84
    acetonitrile 59.16
    DMF 137.05
    toluene 12.38
    isobutanol 39.76
    1,4-dioxane 46.39
    methyl acetate 49.13
    THF 67.99
    2-butanone 52.71
    n-pentanol 34.85
    sec-butanol 37.28
    n-hexane 3.0
    ethylene glycol 76.61
    NMP 223.26
    cyclohexane 4.57
    DMSO 158.19
    n-butyl acetate 41.31
    n-octanol 31.15
    chloroform 339.65
    n-propyl acetate 29.24
    acetic acid 564.31
    dichloromethane 288.29
    cyclohexanone 101.38
    propylene glycol 65.4
    isopropyl acetate 21.59
    DMAc 117.75
    2-ethoxyethanol 61.13
    isopentanol 38.07
    n-heptane 2.95
    ethyl formate 52.44
    1,2-dichloroethane 116.7
    n-hexanol 37.1
    2-methoxyethanol 109.76
    isobutyl acetate 18.55
    tetrachloromethane 24.32
    n-pentyl acetate 35.13
    transcutol 345.94
    n-heptanol 23.28
    ethylbenzene 12.16
    MIBK 24.38
    2-propoxyethanol 73.52
    tert-butanol 40.14
    MTBE 15.78
    2-butoxyethanol 56.41
    propionic acid 144.95
    o-xylene 15.74
    formic acid 330.02
    diethyl ether 13.09
    m-xylene 12.76
    p-xylene 19.85
    chlorobenzene 69.38
    dimethyl carbonate 25.3
    n-octane 1.87
    formamide 248.14
    cyclopentanone 117.98
    2-pentanone 32.2
    anisole 30.85
    cyclopentyl methyl ether 26.49
    gamma-butyrolactone 170.92
    1-methoxy-2-propanol 68.05
    pyridine 91.68
    3-pentanone 27.38
    furfural 241.51
    n-dodecane 2.39
    diethylene glycol 90.86
    diisopropyl ether 5.74
    tert-amyl alcohol 38.81
    acetylacetone 55.34
    n-hexadecane 2.59
    acetophenone 56.08
    methyl propionate 35.69
    isopentyl acetate 38.99
    trichloroethylene 350.78
    n-nonanol 27.33
    cyclohexanol 45.13
    benzyl alcohol 52.73
    2-ethylhexanol 25.3
    isooctanol 20.2
    dipropyl ether 13.74
    1,2-dichlorobenzene 95.58
    ethyl lactate 36.07
    propylene carbonate 110.09
    n-methylformamide 117.63
    2-pentanol 26.19
    n-pentane 2.66
    1-propoxy-2-propanol 53.55
    1-methoxy-2-propyl acetate 46.51
    2-(2-methoxypropoxy) propanol 82.37
    mesitylene 10.03
    ε-caprolactone 100.71
    p-cymene 14.66
    epichlorohydrin 142.44
    1,1,1-trichloroethane 85.26
    2-aminoethanol 90.08
    morpholine-4-carbaldehyde 155.54
    sulfolane 252.04
    2,2,4-trimethylpentane 2.95
    2-methyltetrahydrofuran 46.44
    n-hexyl acetate 60.42
    isooctane 2.01
    2-(2-butoxyethoxy)ethanol 104.86
    sec-butyl acetate 17.67
    tert-butyl acetate 26.2
    decalin 4.4
    glycerin 114.86
    diglyme 131.72
    acrylic acid 225.51
    isopropyl myristate 20.64
    n-butyric acid 116.53
    acetyl acetate 44.67
    di(2-ethylhexyl) phthalate 40.87
    ethyl propionate 25.67
    nitromethane 352.49
    1,2-diethoxyethane 38.77
    benzonitrile 83.58
    trioctyl phosphate 24.26
    1-bromopropane 37.01
    gamma-valerolactone 167.8
    n-decanol 20.35
    triethyl phosphate 26.29
    4-methyl-2-pentanol 18.8
    propionitrile 41.88
    vinylene carbonate 137.71
    1,1,2-trichlorotrifluoroethane 224.63
    DMS 59.73
    cumene 12.89
    2-octanol 16.27
    2-hexanone 29.68
    octyl acetate 30.26
    limonene 19.59
    1,2-dimethoxyethane 55.82
    ethyl orthosilicate 21.71
    tributyl phosphate 33.04
    diacetone alcohol 50.87
    N,N-dimethylaniline 27.27
    acrylonitrile 87.12
    aniline 41.84
    1,3-propanediol 86.27
    bromobenzene 60.7
    dibromomethane 146.53
    1,1,2,2-tetrachloroethane 238.87
    2-methyl-cyclohexyl acetate 38.32
    tetrabutyl urea 44.72
    diisobutyl methanol 15.21
    2-phenylethanol 51.02
    styrene 16.16
    dioctyl adipate 41.48
    dimethyl sulfate 60.03
    ethyl butyrate 29.9
    methyl lactate 52.8
    butyl lactate 52.26
    diethyl carbonate 27.19
    propanediol butyl ether 91.36
    triethyl orthoformate 24.55
    p-tert-butyltoluene 12.68
    methyl 4-tert-butylbenzoate 62.43
    morpholine 64.04
    tert-butylamine 24.49
    n-dodecanol 15.62
    dimethoxymethane 38.56
    ethylene carbonate 80.56
    cyrene 81.83
    2-ethoxyethyl acetate 51.91
    2-ethylhexyl acetate 30.12
    1,2,4-trichlorobenzene 117.8
    4-methylpyridine 69.08
    dibutyl ether 19.94
    2,6-dimethyl-4-heptanol 15.21
    DEF 50.24
    dimethyl isosorbide 102.44
    tetrachloroethylene 152.11
    eugenol 83.25
    triacetin 84.96
    span 80 77.56
    1,4-butanediol 43.07
    1,1-dichloroethane 88.26
    2-methyl-1-pentanol 32.87
    methyl formate 90.78
    2-methyl-1-butanol 39.36
    n-decane 3.31
    butyronitrile 37.07
    3,7-dimethyl-1-octanol 31.93
    1-chlorooctane 16.73
    1-chlorotetradecane 7.51
    n-nonane 2.95
    undecane 2.76
    tert-butylcyclohexane 3.91
    cyclooctane 1.67
    cyclopentanol 61.68
    tetrahydropyran 32.99
    tert-amyl methyl ether 15.6
    2,5,8-trioxanonane 105.54
    1-hexene 10.68
    2-isopropoxyethanol 38.82
    2,2,2-trifluoroethanol 184.6
    methyl butyrate 39.01

    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