N-Octylpyrrolidone

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  • Identifiers

    CAS number
    2687-94-7

    Molecular formula
    C12H23NO

    SMILES
    CCCCCCCCN1CCCC1=O

    Safety labels

    Corrosive
    Corrosive

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Jasmin 43.73%
    Herbal 40.13%
    Spicy 38.85%
    Fresh 37.69%
    Oily 35.65%
    Floral 35.34%
    Waxy 33.94%
    Sweet 30.67%
    Lactonic 29.63%
    Coconut 29.62%

     

    Flavor
    Fatty 37.11%
    Herbal 36.23%
    Waxy 32.45%
    Oily 27.89%
    Fresh 24.72%
    Mild 24.64%
    Fat 23.1%
    Jasmin 22.68%
    Slightly waxy 22.15%
    Lovage 21.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.28 (weak base)

    Molecular weight
    197.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point

    • 134.36 ˚C est.

  • Synonyms

    • 2687-94-7
    • 1-Octyl-2-pyrrolidone
    • N-Octylpyrrolidone
    • 2-Pyrrolidinone, 1-octyl-
    • n-(n-octyl)-2-pyrrolidone
    • DTXSID4036435
    • DTXCID2016435
    • RefChem:828515
    • 403-700-8
    • 608-013-9
    • 1-octylpyrrolidin-2-one
    • N-Octyl-2-pyrrolidone
    • 1-Octyl-2-pyrrolidinone
    • 1-n-Octyl-2-pyrrolidone
    • MFCD00074965
    • N8YJ26SB8V
    • N-Octylpyrrolidinone
    • Surfadone LP 100
    • BRN 1526318
    • N-(n-octyl)-2-pyrrolidinone
    • Flexidone 100
    • N-n-Octylpyrrolidone
    • YNR-NOP
    • n-octyl-2-pyrrolidinone
    • AGSOLEX 8
    • N-OCTYLBUTYROLACTAM
    • 1-octyl-pyrrolidin-2-one
    • UNII-N8YJ26SB8V
    • EC 403-700-8
    • SCHEMBL37427
    • SCHEMBL9789698
    • 1-Octyl-2-pyrrolidone, 98%
    • CHEMBL3186828
    • WPPOGHDFAVQKLN-UHFFFAOYSA-
    • CHEBI:183762
    • Tox21_301550
    • AKOS015839938
    • CS-W015668
    • FO37192
    • MSK168637-100M
    • NCGC00255442-01
    • LS-14149
    • CAS-2687-94-7
    • DB-067695
    • NS00011456
    • O0325
    • E76060
    • F243035
    • Q63395635
    • 1-Octyl-2-pyrrolidone Solution in Methanol, 100ug/mL
    • InChI=1/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3
    • 2687-94-7

  • Applications

    N-Octylpyrrolidone, CAS 2687-94-7, is a polar aprotic solvent used as a processing and formulation solvent in a range of industrial applications; it is commonly employed as a solvent for coatings, inks, and adhesives, aiding resin dissolution and viscosity control; it serves as a processing solvent for polymers and resins in formulation and film-forming systems; it is used in industrial cleaning and degreasing formulations; it has applications in electronic and specialty cleaning fluids; and it may be used as a co-solvent or formulation aid in household cleaning products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5126.38
    methanol 5755.4
    isopropanol 3583.06
    water 0.43
    ethyl acetate 4398.64
    n-propanol 3485.24
    acetone 4938.06
    n-butanol 2995.48
    acetonitrile 4112.99
    DMF 2650.53
    toluene 1090.99
    isobutanol 2453.84
    1,4-dioxane 2944.81
    methyl acetate 2640.74
    THF 3904.05
    2-butanone 3386.71
    n-pentanol 1879.19
    sec-butanol 2564.39
    n-hexane 232.58
    ethylene glycol 341.63
    NMP 1785.04
    cyclohexane 366.15
    DMSO 3128.4
    n-butyl acetate 3127.1
    n-octanol 537.69
    chloroform 8753.01
    n-propyl acetate 2824.17
    acetic acid 3058.7
    dichloromethane 7541.4
    cyclohexanone 4105.04
    propylene glycol 678.1
    isopropyl acetate 2838.52
    DMAc 1832.09
    2-ethoxyethanol 2061.58
    isopentanol 2701.59
    n-heptane 89.64
    ethyl formate 2482.54
    1,2-dichloroethane 3861.7
    n-hexanol 1461.59
    2-methoxyethanol 3383.2
    isobutyl acetate 1626.59
    tetrachloromethane 1093.94
    n-pentyl acetate 1540.54
    transcutol 5572.01
    n-heptanol 557.13
    ethylbenzene 535.23
    MIBK 1667.85
    2-propoxyethanol 2127.02
    tert-butanol 2962.38
    MTBE 3073.73
    2-butoxyethanol 1228.14
    propionic acid 2258.99
    o-xylene 572.56
    formic acid 753.81
    diethyl ether 3110.15
    m-xylene 663.98
    p-xylene 739.94
    chlorobenzene 1993.45
    dimethyl carbonate 532.82
    n-octane 40.01
    formamide 1029.31
    cyclopentanone 3418.62
    2-pentanone 3000.35
    anisole 1093.55
    cyclopentyl methyl ether 1906.61
    gamma-butyrolactone 3656.02
    1-methoxy-2-propanol 2361.95
    pyridine 3677.15
    3-pentanone 1675.94
    furfural 2937.26
    n-dodecane 34.71
    diethylene glycol 1133.88
    diisopropyl ether 778.89
    tert-amyl alcohol 2101.41
    acetylacetone 2637.59
    n-hexadecane 41.32
    acetophenone 1112.51
    methyl propionate 1933.01
    isopentyl acetate 2334.98
    trichloroethylene 6800.77
    n-nonanol 447.61
    cyclohexanol 2054.9
    benzyl alcohol 1045.18
    2-ethylhexanol 796.42
    isooctanol 482.41
    dipropyl ether 998.31
    1,2-dichlorobenzene 1636.73
    ethyl lactate 674.24
    propylene carbonate 2347.63
    n-methylformamide 1854.51
    2-pentanol 1896.09
    n-pentane 190.39
    1-propoxy-2-propanol 1655.03
    1-methoxy-2-propyl acetate 1753.62
    2-(2-methoxypropoxy) propanol 821.71
    mesitylene 413.69
    ε-caprolactone 3478.51
    p-cymene 304.56
    epichlorohydrin 4045.11
    1,1,1-trichloroethane 4011.92
    2-aminoethanol 1123.6
    morpholine-4-carbaldehyde 2124.61
    sulfolane 2838.5
    2,2,4-trimethylpentane 108.66
    2-methyltetrahydrofuran 3489.31
    n-hexyl acetate 1606.66
    isooctane 88.26
    2-(2-butoxyethoxy)ethanol 1302.17
    sec-butyl acetate 1754.16
    tert-butyl acetate 2077.57
    decalin 158.73
    glycerin 716.06
    diglyme 2464.48
    acrylic acid 1506.99
    isopropyl myristate 451.44
    n-butyric acid 4627.86
    acetyl acetate 2089.46
    di(2-ethylhexyl) phthalate 390.38
    ethyl propionate 1769.6
    nitromethane 4043.63
    1,2-diethoxyethane 2467.61
    benzonitrile 1880.41
    trioctyl phosphate 268.93
    1-bromopropane 2841.97
    gamma-valerolactone 4195.43
    n-decanol 295.64
    triethyl phosphate 444.6
    4-methyl-2-pentanol 910.32
    propionitrile 3135.61
    vinylene carbonate 2078.61
    1,1,2-trichlorotrifluoroethane 2452.18
    DMS 924.51
    cumene 364.07
    2-octanol 400.88
    2-hexanone 2122.66
    octyl acetate 559.18
    limonene 499.28
    1,2-dimethoxyethane 3371.71
    ethyl orthosilicate 454.96
    tributyl phosphate 410.66
    diacetone alcohol 1507.6
    N,N-dimethylaniline 592.41
    acrylonitrile 2971.48
    aniline 1561.25
    1,3-propanediol 1838.89
    bromobenzene 2154.54
    dibromomethane 5140.36
    1,1,2,2-tetrachloroethane 5029.49
    2-methyl-cyclohexyl acetate 842.45
    tetrabutyl urea 464.59
    diisobutyl methanol 432.9
    2-phenylethanol 928.36
    styrene 836.94
    dioctyl adipate 619.4
    dimethyl sulfate 699.16
    ethyl butyrate 1623.48
    methyl lactate 696.87
    butyl lactate 959.12
    diethyl carbonate 902.2
    propanediol butyl ether 979.8
    triethyl orthoformate 918.1
    p-tert-butyltoluene 285.46
    methyl 4-tert-butylbenzoate 705.61
    morpholine 4073.6
    tert-butylamine 1799.27
    n-dodecanol 209.09
    dimethoxymethane 1695.55
    ethylene carbonate 2037.67
    cyrene 615.5
    2-ethoxyethyl acetate 1774.53
    2-ethylhexyl acetate 1565.77
    1,2,4-trichlorobenzene 1735.84
    4-methylpyridine 3453.01
    dibutyl ether 1072.36
    2,6-dimethyl-4-heptanol 432.9
    DEF 2604.74
    dimethyl isosorbide 1169.52
    tetrachloroethylene 3313.73
    eugenol 699.95
    triacetin 1139.65
    span 80 754.37
    1,4-butanediol 679.43
    1,1-dichloroethane 5193.49
    2-methyl-1-pentanol 1547.79
    methyl formate 1265.48
    2-methyl-1-butanol 2217.15
    n-decane 67.86
    butyronitrile 3607.57
    3,7-dimethyl-1-octanol 615.65
    1-chlorooctane 392.29
    1-chlorotetradecane 126.95
    n-nonane 64.26
    undecane 45.77
    tert-butylcyclohexane 144.52
    cyclooctane 87.72
    cyclopentanol 1887.33
    tetrahydropyran 3848.51
    tert-amyl methyl ether 1545.9
    2,5,8-trioxanonane 1291.62
    1-hexene 1104.55
    2-isopropoxyethanol 1485.15
    2,2,2-trifluoroethanol 754.36
    methyl butyrate 2943.97

    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