Cetyl pyrrolidonylmethyl dimonium chloride

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  • Identifiers

    CAS number
    115612-97-0

    Molecular formula
    C23H47N2O+

    SMILES
    CCCCCCCCCCCCCCCC[N+](C)(C)CN1CCCC1=O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 58.41%
    Fatty 42.57%
    Oily 35.17%
    Woody 32.85%
    Animal 28.39%
    Fresh 27.62%
    Floral 24.6%
    Odorless 23.41%
    Milky 23.11%
    Sweet 22.76%

     

    Flavor
    Bland 33.33%
    Mild 26.37%
    Waxy 22.91%
    Slightly waxy 21.53%
    Delicate 21.16%
    Diterpene 19.98%
    Faint 19.91%
    Bay oil 19.72%
    Cedarleaf 19.59%
    Beer 19.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.7

    pKa est.
    8.52 (weak base)

    Molecular weight
    367.6 g/mol

    Flash point

    • 104.05 ˚C est.

  • Synonyms

    • UNII-1HQ5FG9ZN3
    • Cetyl pyrrolidonylmethyl dimonium chloride
    • 1HQ5FG9ZN3
    • 115612-97-0
    • Cetyl pyrrolidonylmethyl dimonium chloride [INCI]
    • 1-Pyrrolidinemethanaminium, N-hexadecyl-N,N-dimethyl-2-oxo-, chloride (1:1)
    • RefChem:124718
    • SCHEMBL9549309
    • Q27252430
    • 115612-97-0

  • Applications

    Cetyl pyrrolidonylmethyl dimonium chloride (CAS 115612-97-0) is a cationic quaternary ammonium surfactant commonly used as a surface-active agent in multiple formulations. In practice, it may be used in cosmetics/personal care as a cleansing and conditioning component; in household cleaners and surface coatings as an antimicrobial or sanitizing additive; in textile processing as a fabric softener and anti-static agent; in coatings and inks as a surfactant and wetting/dispersion aid; and in polymer or plastic formulations as an emulsifier or processing aid to improve compatibility and stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 401.48
    methanol 378.78
    isopropanol 445.48
    water 1.85
    ethyl acetate 1463.07
    n-propanol 553.58
    acetone 959.62
    n-butanol 687.01
    acetonitrile 440.83
    DMF 922.6
    toluene 501.3
    isobutanol 591.8
    1,4-dioxane 1020.28
    methyl acetate 913.22
    THF 1585.83
    2-butanone 1161.04
    n-pentanol 438.95
    sec-butanol 617.2
    n-hexane 107.08
    ethylene glycol 37.59
    NMP 1259.56
    cyclohexane 436.81
    DMSO 621.74
    n-butyl acetate 1039.26
    n-octanol 341.7
    chloroform 4125.94
    n-propyl acetate 1292.75
    acetic acid 814.2
    dichloromethane 3289.68
    cyclohexanone 2502.2
    propylene glycol 97.08
    isopropyl acetate 1263.72
    DMAc 1387.65
    2-ethoxyethanol 627.17
    isopentanol 747.14
    n-heptane 91.53
    ethyl formate 811.55
    1,2-dichloroethane 1771.33
    n-hexanol 342.28
    2-methoxyethanol 702.18
    isobutyl acetate 929.58
    tetrachloromethane 1020.41
    n-pentyl acetate 1438.88
    transcutol 1708.03
    n-heptanol 385.47
    ethylbenzene 299.92
    MIBK 922.73
    2-propoxyethanol 570.05
    tert-butanol 576.29
    MTBE 851.29
    2-butoxyethanol 812.42
    propionic acid 681.94
    o-xylene 396.82
    formic acid 206.75
    diethyl ether 793.15
    m-xylene 362.1
    p-xylene 472.23
    chlorobenzene 818.15
    dimethyl carbonate 343.46
    n-octane 51.25
    formamide 292.6
    cyclopentanone 1914.18
    2-pentanone 1272.39
    anisole 469.91
    cyclopentyl methyl ether 1134.52
    gamma-butyrolactone 1890.14
    1-methoxy-2-propanol 735.31
    pyridine 1107.57
    3-pentanone 1015.37
    furfural 1337.22
    n-dodecane 27.73
    diethylene glycol 257.31
    diisopropyl ether 360.1
    tert-amyl alcohol 692.89
    acetylacetone 1236.49
    n-hexadecane 34.19
    acetophenone 677.9
    methyl propionate 919.6
    isopentyl acetate 996.1
    trichloroethylene 3288.28
    n-nonanol 322.61
    cyclohexanol 1057.45
    benzyl alcohol 408.68
    2-ethylhexanol 343.92
    isooctanol 392.06
    dipropyl ether 526.65
    1,2-dichlorobenzene 867.16
    ethyl lactate 462.33
    propylene carbonate 1389.42
    n-methylformamide 527.6
    2-pentanol 567.26
    n-pentane 109.61
    1-propoxy-2-propanol 604.05
    1-methoxy-2-propyl acetate 765.0
    2-(2-methoxypropoxy) propanol 453.47
    mesitylene 264.5
    ε-caprolactone 2253.58
    p-cymene 224.31
    epichlorohydrin 1942.78
    1,1,1-trichloroethane 2622.54
    2-aminoethanol 152.13
    morpholine-4-carbaldehyde 1125.94
    sulfolane 1699.78
    2,2,4-trimethylpentane 95.36
    2-methyltetrahydrofuran 1560.02
    n-hexyl acetate 1164.07
    isooctane 49.5
    2-(2-butoxyethoxy)ethanol 656.85
    sec-butyl acetate 1019.01
    tert-butyl acetate 1126.07
    decalin 120.41
    glycerin 157.3
    diglyme 1600.72
    acrylic acid 458.68
    isopropyl myristate 336.14
    n-butyric acid 1671.11
    acetyl acetate 962.84
    di(2-ethylhexyl) phthalate 282.06
    ethyl propionate 1030.15
    nitromethane 1316.78
    1,2-diethoxyethane 900.36
    benzonitrile 639.11
    trioctyl phosphate 223.64
    1-bromopropane 1215.6
    gamma-valerolactone 2356.13
    n-decanol 198.29
    triethyl phosphate 417.09
    4-methyl-2-pentanol 370.02
    propionitrile 586.34
    vinylene carbonate 1216.27
    1,1,2-trichlorotrifluoroethane 1554.2
    DMS 601.37
    cumene 219.35
    2-octanol 333.59
    2-hexanone 925.32
    octyl acetate 435.54
    limonene 375.97
    1,2-dimethoxyethane 1277.36
    ethyl orthosilicate 421.14
    tributyl phosphate 299.04
    diacetone alcohol 838.82
    N,N-dimethylaniline 332.98
    acrylonitrile 547.65
    aniline 506.34
    1,3-propanediol 376.12
    bromobenzene 912.15
    dibromomethane 2104.75
    1,1,2,2-tetrachloroethane 2971.31
    2-methyl-cyclohexyl acetate 655.82
    tetrabutyl urea 371.86
    diisobutyl methanol 234.62
    2-phenylethanol 329.28
    styrene 319.22
    dioctyl adipate 479.96
    dimethyl sulfate 567.4
    ethyl butyrate 946.67
    methyl lactate 373.34
    butyl lactate 809.03
    diethyl carbonate 567.36
    propanediol butyl ether 524.4
    triethyl orthoformate 697.21
    p-tert-butyltoluene 195.84
    methyl 4-tert-butylbenzoate 684.54
    morpholine 1249.36
    tert-butylamine 398.44
    n-dodecanol 135.08
    dimethoxymethane 660.67
    ethylene carbonate 1251.73
    cyrene 464.15
    2-ethoxyethyl acetate 1236.8
    2-ethylhexyl acetate 851.84
    1,2,4-trichlorobenzene 1026.91
    4-methylpyridine 1155.98
    dibutyl ether 601.58
    2,6-dimethyl-4-heptanol 234.62
    DEF 1442.54
    dimethyl isosorbide 757.84
    tetrachloroethylene 2060.81
    eugenol 524.79
    triacetin 1021.17
    span 80 445.86
    1,4-butanediol 168.17
    1,1-dichloroethane 2001.3
    2-methyl-1-pentanol 538.38
    methyl formate 412.1
    2-methyl-1-butanol 723.29
    n-decane 68.48
    butyronitrile 802.49
    3,7-dimethyl-1-octanol 331.55
    1-chlorooctane 335.46
    1-chlorotetradecane 93.14
    n-nonane 66.82
    undecane 40.41
    tert-butylcyclohexane 94.24
    cyclooctane 105.2
    cyclopentanol 851.01
    tetrahydropyran 1598.96
    tert-amyl methyl ether 774.63
    2,5,8-trioxanonane 716.7
    1-hexene 315.59
    2-isopropoxyethanol 601.07
    2,2,2-trifluoroethanol 542.27
    methyl butyrate 1527.33

    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