Pyroglutamyl behenate

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  • Identifiers

    CAS number
    37673-38-4

    Molecular formula
    C27H51NO3

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 61.21%
    Fatty 52.97%
    Oily 39.24%
    Odorless 33.08%
    Milky 24.37%
    Creamy 22.65%
    Sweet 22.42%
    Buttery 21.19%
    Savory 21.13%
    Dairy 20.95%

     

    Flavor
    Waxy 43.48%
    Fatty 40.9%
    Mild 35.51%
    Bland 34.49%
    Oily 31.49%
    Faint 28.0%
    Odorless 27.19%
    Slightly waxy 23.79%
    Fat 22.33%
    Bay oil 21.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.6

    pKa est.
    2.6 (strong acid)

    Molecular weight
    437.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    638°C

    Flash point

    • 204.37 ˚C est.

  • Synonyms

    • Pyroglutamyl behenate
    • Docosyl 5-oxo-L-prolinate
    • 37673-38-4
    • UNII-CY9M6276C2
    • CY9M6276C2
    • EINECS 253-605-9
    • BEHENYL PCA
    • DTXSID80191102
    • GKCVFDIGISJVBA-VWLOTQADSA-N
    • L-PROLINE, 5-OXO-, DOCOSYL ESTER
    • NS00030253
    • Q27275893
    • 37673-38-4

  • Applications

    Pyroglutamyl behenate (CAS 37673-38-4) is an amino-acid-derived fatty acid ester that is used in cosmetics and personal care as a conditioning emollient and mild surfactant, contributing slip, texture enhancement, and stable emulsions in creams, lotions, and hair-care products. It can serve as a waxy thickener/texture modifier for creamy formulations and may improve the compatibility of active ingredients with lipid phases. The compound is sometimes employed as a processing aid or lubricity additive in polymer and coating formulations, helping to ease processing and improve film formation. In cleaning and household products, it can function as a nonionic emulsifier and slip-enhancing component, aiding dispersion of oils and soils. It may also be evaluated as a specialty additive in coatings and inks to modify rheology and gloss, subject to formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.26
    methanol 13.93
    isopropanol 8.57
    water 0.53
    ethyl acetate 93.05
    n-propanol 13.38
    acetone 59.31
    n-butanol 14.37
    acetonitrile 28.48
    DMF 113.19
    toluene 35.09
    isobutanol 13.51
    1,4-dioxane 79.74
    methyl acetate 67.01
    THF 237.0
    2-butanone 87.47
    n-pentanol 17.11
    sec-butanol 17.54
    n-hexane 6.65
    ethylene glycol 1.82
    NMP 413.66
    cyclohexane 25.94
    DMSO 119.96
    n-butyl acetate 98.17
    n-octanol 30.75
    chloroform 373.67
    n-propyl acetate 123.25
    acetic acid 54.12
    dichloromethane 390.72
    cyclohexanone 294.46
    propylene glycol 4.28
    isopropyl acetate 96.7
    DMAc 335.97
    2-ethoxyethanol 48.18
    isopentanol 20.64
    n-heptane 6.5
    ethyl formate 50.8
    1,2-dichloroethane 193.65
    n-hexanol 14.56
    2-methoxyethanol 37.95
    isobutyl acetate 81.42
    tetrachloromethane 85.75
    n-pentyl acetate 205.02
    transcutol 247.07
    n-heptanol 27.57
    ethylbenzene 29.8
    MIBK 76.8
    2-propoxyethanol 45.71
    tert-butanol 18.91
    MTBE 46.53
    2-butoxyethanol 83.88
    propionic acid 43.9
    o-xylene 38.09
    formic acid 16.41
    diethyl ether 32.24
    m-xylene 28.61
    p-xylene 49.0
    chlorobenzene 94.86
    dimethyl carbonate 41.06
    n-octane 4.94
    formamide 34.85
    cyclopentanone 302.46
    2-pentanone 81.8
    anisole 64.85
    cyclopentyl methyl ether 117.89
    gamma-butyrolactone 337.07
    1-methoxy-2-propanol 42.88
    pyridine 129.04
    3-pentanone 84.54
    furfural 241.13
    n-dodecane 3.11
    diethylene glycol 18.2
    diisopropyl ether 20.88
    tert-amyl alcohol 32.3
    acetylacetone 145.0
    n-hexadecane 3.73
    acetophenone 119.68
    methyl propionate 74.38
    isopentyl acetate 102.33
    trichloroethylene 403.55
    n-nonanol 32.88
    cyclohexanol 45.8
    benzyl alcohol 38.33
    2-ethylhexanol 21.47
    isooctanol 29.72
    dipropyl ether 44.25
    1,2-dichlorobenzene 135.11
    ethyl lactate 56.26
    propylene carbonate 224.56
    n-methylformamide 43.29
    2-pentanol 15.25
    n-pentane 4.21
    1-propoxy-2-propanol 51.84
    1-methoxy-2-propyl acetate 109.93
    2-(2-methoxypropoxy) propanol 83.78
    mesitylene 24.42
    ε-caprolactone 303.64
    p-cymene 26.04
    epichlorohydrin 273.16
    1,1,1-trichloroethane 266.53
    2-aminoethanol 6.63
    morpholine-4-carbaldehyde 213.24
    sulfolane 528.34
    2,2,4-trimethylpentane 7.0
    2-methyltetrahydrofuran 169.06
    n-hexyl acetate 173.1
    isooctane 3.05
    2-(2-butoxyethoxy)ethanol 97.81
    sec-butyl acetate 105.19
    tert-butyl acetate 128.47
    decalin 12.9
    glycerin 9.84
    diglyme 260.5
    acrylic acid 36.86
    isopropyl myristate 47.23
    n-butyric acid 89.78
    acetyl acetate 92.42
    di(2-ethylhexyl) phthalate 49.37
    ethyl propionate 111.32
    nitromethane 138.41
    1,2-diethoxyethane 114.25
    benzonitrile 67.87
    trioctyl phosphate 32.56
    1-bromopropane 85.36
    gamma-valerolactone 384.06
    n-decanol 19.72
    triethyl phosphate 81.48
    4-methyl-2-pentanol 15.22
    propionitrile 31.0
    vinylene carbonate 173.19
    1,1,2-trichlorotrifluoroethane 208.49
    DMS 96.24
    cumene 24.74
    2-octanol 28.54
    2-hexanone 93.58
    octyl acetate 61.79
    limonene 40.12
    1,2-dimethoxyethane 123.22
    ethyl orthosilicate 76.83
    tributyl phosphate 50.63
    diacetone alcohol 96.55
    N,N-dimethylaniline 54.22
    acrylonitrile 37.65
    aniline 37.42
    1,3-propanediol 12.04
    bromobenzene 116.25
    dibromomethane 212.52
    1,1,2,2-tetrachloroethane 375.37
    2-methyl-cyclohexyl acetate 104.69
    tetrabutyl urea 76.83
    diisobutyl methanol 18.75
    2-phenylethanol 33.86
    styrene 35.56
    dioctyl adipate 91.85
    dimethyl sulfate 121.74
    ethyl butyrate 111.3
    methyl lactate 40.51
    butyl lactate 119.43
    diethyl carbonate 73.19
    propanediol butyl ether 58.55
    triethyl orthoformate 99.3
    p-tert-butyltoluene 23.61
    methyl 4-tert-butylbenzoate 150.78
    morpholine 103.88
    tert-butylamine 14.55
    n-dodecanol 13.22
    dimethoxymethane 58.16
    ethylene carbonate 150.78
    cyrene 107.65
    2-ethoxyethyl acetate 208.34
    2-ethylhexyl acetate 94.36
    1,2,4-trichlorobenzene 169.8
    4-methylpyridine 122.28
    dibutyl ether 65.68
    2,6-dimethyl-4-heptanol 18.75
    DEF 138.85
    dimethyl isosorbide 207.67
    tetrachloroethylene 245.83
    eugenol 114.57
    triacetin 218.95
    span 80 76.31
    1,4-butanediol 8.28
    1,1-dichloroethane 156.92
    2-methyl-1-pentanol 25.09
    methyl formate 35.82
    2-methyl-1-butanol 21.94
    n-decane 7.32
    butyronitrile 34.04
    3,7-dimethyl-1-octanol 30.1
    1-chlorooctane 36.82
    1-chlorotetradecane 10.65
    n-nonane 6.64
    undecane 4.45
    tert-butylcyclohexane 8.6
    cyclooctane 7.56
    cyclopentanol 48.63
    tetrahydropyran 110.3
    tert-amyl methyl ether 59.56
    2,5,8-trioxanonane 142.59
    1-hexene 17.75
    2-isopropoxyethanol 43.89
    2,2,2-trifluoroethanol 49.75
    methyl butyrate 161.83

    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