Cetyl PCA

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  • Identifiers

    CAS number
    37673-20-4

    Molecular formula
    C21H39NO3

    SMILES
    CCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1

    Safety labels

  • Odor profile

    Fragrance
    Waxy 47.81%
    Fatty 44.62%
    Oily 37.71%
    Odorless 31.4%
    Lactonic 30.21%
    Milky 28.97%
    Peach 28.9%
    Buttery 25.59%
    Fresh 25.55%
    Citrus 24.74%

     

    Flavor
    Waxy 42.36%
    Fatty 40.57%
    Oily 35.22%
    Mild 33.14%
    Bland 32.31%
    Odorless 26.42%
    Faint 24.65%
    Slightly waxy 23.19%
    Creamy 22.96%
    Bay oil 21.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.39 (neutral)

    Molecular weight
    353.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    520°C

    Flash point

    • 208.96 ˚C est.

  • Synonyms

    • Cetyl PCA
    • 37673-20-4
    • 28MYO763XV
    • EINECS 253-589-3
    • CETYLIDONE U-A
    • L-Proline, 5-oxo-, hexadecyl ester
    • DTXSID60191089
    • HEXADECYL 2-PYRROLIDONE-5-CARBOXYLATE
    • N-HEXADECYL 2-PYRROLIDONE-5-CARBOXYLATE
    • RefChem:575390
    • CETYL PCA [INCI]
    • DTXCID20113580
    • Hexadecyl 5-oxo-L-prolinate
    • UNII-28MYO763XV
    • SCHEMBL8749210
    • BJXKLGPZWDKIHU-IBGZPJMESA-N
    • NS00030240
    • Q27254331
    • 37673-20-4

  • Applications

    Cetyl PCA (CAS 37673-20-4) is typically used as a surfactant and solubilizer in cosmetics and personal care, where it can also function as a conditioning/emollient additive in formulations. In industrial manufacturing it serves as a processing aid and a dispersant for polymers and coatings, helping stabilize emulsions and pigment dispersion in inks and paints. It may likewise act as a surfactant or solubilizer in cleaning products and household formulations, and can be used as an intermediate or compatibility additive in chemical syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 60.99
    methanol 100.09
    isopropanol 60.14
    water 0.54
    ethyl acetate 323.63
    n-propanol 72.22
    acetone 259.19
    n-butanol 77.52
    acetonitrile 127.76
    DMF 432.56
    toluene 94.73
    isobutanol 68.92
    1,4-dioxane 225.0
    methyl acetate 228.16
    THF 629.63
    2-butanone 292.58
    n-pentanol 70.68
    sec-butanol 83.81
    n-hexane 10.24
    ethylene glycol 7.46
    NMP 846.82
    cyclohexane 37.77
    DMSO 443.88
    n-butyl acetate 286.7
    n-octanol 67.46
    chloroform 844.07
    n-propyl acetate 390.47
    acetic acid 194.94
    dichloromethane 962.97
    cyclohexanone 792.71
    propylene glycol 18.06
    isopropyl acetate 305.86
    DMAc 867.7
    2-ethoxyethanol 184.36
    isopentanol 101.04
    n-heptane 8.02
    ethyl formate 186.69
    1,2-dichloroethane 553.63
    n-hexanol 51.22
    2-methoxyethanol 177.04
    isobutyl acetate 245.87
    tetrachloromethane 152.51
    n-pentyl acetate 448.13
    transcutol 692.49
    n-heptanol 65.59
    ethylbenzene 66.38
    MIBK 235.8
    2-propoxyethanol 152.59
    tert-butanol 99.72
    MTBE 169.43
    2-butoxyethanol 214.68
    propionic acid 152.86
    o-xylene 87.23
    formic acid 57.95
    diethyl ether 109.19
    m-xylene 71.94
    p-xylene 107.59
    chlorobenzene 240.01
    dimethyl carbonate 102.11
    n-octane 6.18
    formamide 129.32
    cyclopentanone 773.94
    2-pentanone 289.78
    anisole 164.29
    cyclopentyl methyl ether 290.38
    gamma-butyrolactone 839.37
    1-methoxy-2-propanol 176.06
    pyridine 363.93
    3-pentanone 227.67
    furfural 591.59
    n-dodecane 4.61
    diethylene glycol 69.42
    diisopropyl ether 53.83
    tert-amyl alcohol 125.05
    acetylacetone 439.35
    n-hexadecane 5.59
    acetophenone 280.55
    methyl propionate 228.76
    isopentyl acetate 289.79
    trichloroethylene 1021.66
    n-nonanol 68.21
    cyclohexanol 158.71
    benzyl alcohol 126.39
    2-ethylhexanol 56.62
    isooctanol 70.28
    dipropyl ether 92.55
    1,2-dichlorobenzene 286.63
    ethyl lactate 148.51
    propylene carbonate 534.98
    n-methylformamide 174.99
    2-pentanol 67.06
    n-pentane 7.36
    1-propoxy-2-propanol 146.57
    1-methoxy-2-propyl acetate 281.9
    2-(2-methoxypropoxy) propanol 177.83
    mesitylene 52.99
    ε-caprolactone 750.7
    p-cymene 48.25
    epichlorohydrin 748.78
    1,1,1-trichloroethane 570.94
    2-aminoethanol 30.11
    morpholine-4-carbaldehyde 542.75
    sulfolane 1049.15
    2,2,4-trimethylpentane 11.4
    2-methyltetrahydrofuran 445.44
    n-hexyl acetate 361.7
    isooctane 5.4
    2-(2-butoxyethoxy)ethanol 233.21
    sec-butyl acetate 287.11
    tert-butyl acetate 332.09
    decalin 20.11
    glycerin 36.35
    diglyme 618.15
    acrylic acid 118.09
    isopropyl myristate 93.05
    n-butyric acid 340.73
    acetyl acetate 253.94
    di(2-ethylhexyl) phthalate 96.3
    ethyl propionate 299.27
    nitromethane 479.27
    1,2-diethoxyethane 273.8
    benzonitrile 213.35
    trioctyl phosphate 64.96
    1-bromopropane 232.58
    gamma-valerolactone 1028.54
    n-decanol 41.02
    triethyl phosphate 143.65
    4-methyl-2-pentanol 55.63
    propionitrile 127.65
    vinylene carbonate 415.04
    1,1,2-trichlorotrifluoroethane 490.63
    DMS 220.73
    cumene 51.35
    2-octanol 61.09
    2-hexanone 273.4
    octyl acetate 128.57
    limonene 76.19
    1,2-dimethoxyethane 427.75
    ethyl orthosilicate 136.8
    tributyl phosphate 98.99
    diacetone alcohol 273.74
    N,N-dimethylaniline 119.89
    acrylonitrile 156.67
    aniline 125.12
    1,3-propanediol 62.73
    bromobenzene 263.34
    dibromomethane 527.34
    1,1,2,2-tetrachloroethane 888.08
    2-methyl-cyclohexyl acetate 211.8
    tetrabutyl urea 140.76
    diisobutyl methanol 42.21
    2-phenylethanol 100.66
    styrene 87.1
    dioctyl adipate 172.25
    dimethyl sulfate 251.54
    ethyl butyrate 261.23
    methyl lactate 113.35
    butyl lactate 252.64
    diethyl carbonate 162.43
    propanediol butyl ether 154.66
    triethyl orthoformate 194.26
    p-tert-butyltoluene 43.6
    methyl 4-tert-butylbenzoate 268.41
    morpholine 343.04
    tert-butylamine 58.88
    n-dodecanol 27.6
    dimethoxymethane 206.76
    ethylene carbonate 381.5
    cyrene 215.2
    2-ethoxyethyl acetate 469.83
    2-ethylhexyl acetate 231.57
    1,2,4-trichlorobenzene 343.81
    4-methylpyridine 379.3
    dibutyl ether 132.11
    2,6-dimethyl-4-heptanol 42.21
    DEF 446.46
    dimethyl isosorbide 368.18
    tetrachloroethylene 583.4
    eugenol 219.97
    triacetin 401.32
    span 80 153.11
    1,4-butanediol 34.05
    1,1-dichloroethane 442.81
    2-methyl-1-pentanol 91.64
    methyl formate 120.68
    2-methyl-1-butanol 97.32
    n-decane 10.21
    butyronitrile 150.87
    3,7-dimethyl-1-octanol 70.31
    1-chlorooctane 66.66
    1-chlorotetradecane 18.89
    n-nonane 9.05
    undecane 6.32
    tert-butylcyclohexane 13.87
    cyclooctane 9.43
    cyclopentanol 163.32
    tetrahydropyran 327.63
    tert-amyl methyl ether 156.66
    2,5,8-trioxanonane 312.05
    1-hexene 43.11
    2-isopropoxyethanol 156.11
    2,2,2-trifluoroethanol 130.52
    methyl butyrate 472.84

    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