5-Oxo-L-proline 2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester

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  • Identifiers

    CAS number
    84608-82-2

    Molecular formula
    C26H45NO6

    SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)[C@@H]1CCC(=O)N1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 49.65%
    Waxy 38.18%
    Oily 37.62%
    Odorless 34.36%
    Peach 33.7%
    Buttery 32.5%
    Lactonic 32.24%
    Milky 28.17%
    Sweet 24.06%
    Dairy 23.12%

     

    Flavor
    Waxy 39.82%
    Mild 32.4%
    Bland 32.34%
    Fatty 32.31%
    Oily 32.24%
    Odorless 30.05%
    Faint 24.47%
    Slightly waxy 21.63%
    Bay oil 21.25%
    Beer 20.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.3

    pKa est.
    5.14 (weak acid)

    Molecular weight
    467.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    859°C

    Flash point

    • 229.31 ˚C est.

  • Synonyms

    • 5-Oxo-L-proline 2-hydroxy-3-(((9Z)-1-oxo-9-octadecen-1-yl)oxy)propyl ester
    • 5-Oxo-L-proline 2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester
    • RefChem:537598
    • glyceryl monopyroglutamate monooleate
    • 84608-82-2
    • EINECS 283-393-3
    • UNII-N6M83YSI31
    • N6M83YSI31
    • 2-Hydroxy-3-(oleoyloxy)propyl 5-oxo-L-prolinate
    • [2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (2S)-5-oxopyrrolidine-2-carboxylate
    • AMIFAT P 30
    • SCHEMBL474195
    • XHJMSYVAXZRKDC-VTWISFAYSA-N
    • NS00059611
    • Q27284626
    • 84608-82-2

  • Applications

    5-Oxo-L-proline 2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester (CAS 84608-82-2) is a lipid–amino acid derivative that can serve as a specialized precursor in the synthesis of lipid-modified amino acids and related lipid-conjugated building blocks. In cosmetics and personal care, it may function as a lipid-like surfactant and conditioning/emollient agent to help stabilize emulsions and improve skin feel. In pharmaceutical research, it can act as a building block for lipid-conjugated amino acid derivatives intended for lipid-based drug delivery systems or peptide–lipid conjugates. In polymers and materials, it may serve as a compatibilizer or monomeric component for lipid-containing biodegradable polymers. In industrial synthesis, it can be used as an intermediate to prepare further lipid-modified derivatives and other specialty chemicals; its use as a surface-modifying additive for coatings is possible under appropriate formulation limits and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.65
    methanol 30.36
    isopropanol 9.62
    water 0.46
    ethyl acetate 27.96
    n-propanol 14.25
    acetone 52.94
    n-butanol 12.38
    acetonitrile 18.02
    DMF 103.02
    toluene 9.6
    isobutanol 11.35
    1,4-dioxane 41.55
    methyl acetate 29.86
    THF 103.69
    2-butanone 44.46
    n-pentanol 15.58
    sec-butanol 14.64
    n-hexane 1.04
    ethylene glycol 3.25
    NMP 200.42
    cyclohexane 2.14
    DMSO 163.89
    n-butyl acetate 19.05
    n-octanol 16.29
    chloroform 76.83
    n-propyl acetate 27.27
    acetic acid 71.29
    dichloromethane 81.37
    cyclohexanone 96.33
    propylene glycol 7.04
    isopropyl acetate 26.26
    DMAc 277.88
    2-ethoxyethanol 49.86
    isopentanol 14.15
    n-heptane 0.88
    ethyl formate 23.58
    1,2-dichloroethane 45.39
    n-hexanol 8.94
    2-methoxyethanol 47.16
    isobutyl acetate 18.89
    tetrachloromethane 12.52
    n-pentyl acetate 40.37
    transcutol 206.48
    n-heptanol 13.9
    ethylbenzene 8.57
    MIBK 26.25
    2-propoxyethanol 35.0
    tert-butanol 15.87
    MTBE 19.64
    2-butoxyethanol 50.24
    propionic acid 29.16
    o-xylene 11.44
    formic acid 33.32
    diethyl ether 11.37
    m-xylene 8.12
    p-xylene 12.1
    chlorobenzene 16.5
    dimethyl carbonate 23.91
    n-octane 0.9
    formamide 51.2
    cyclopentanone 104.66
    2-pentanone 33.37
    anisole 21.75
    cyclopentyl methyl ether 35.54
    gamma-butyrolactone 115.27
    1-methoxy-2-propanol 40.6
    pyridine 43.07
    3-pentanone 30.82
    furfural 95.02
    n-dodecane 0.84
    diethylene glycol 22.25
    diisopropyl ether 4.93
    tert-amyl alcohol 23.05
    acetylacetone 62.85
    n-hexadecane 0.96
    acetophenone 39.54
    methyl propionate 30.39
    isopentyl acetate 22.23
    trichloroethylene 104.46
    n-nonanol 16.69
    cyclohexanol 21.5
    benzyl alcohol 23.01
    2-ethylhexanol 7.58
    isooctanol 12.77
    dipropyl ether 9.53
    1,2-dichlorobenzene 23.01
    ethyl lactate 24.74
    propylene carbonate 60.08
    n-methylformamide 38.93
    2-pentanol 9.39
    n-pentane 0.7
    1-propoxy-2-propanol 26.41
    1-methoxy-2-propyl acetate 32.22
    2-(2-methoxypropoxy) propanol 49.91
    mesitylene 5.48
    ε-caprolactone 93.57
    p-cymene 5.65
    epichlorohydrin 102.77
    1,1,1-trichloroethane 42.95
    2-aminoethanol 9.75
    morpholine-4-carbaldehyde 121.35
    sulfolane 200.31
    2,2,4-trimethylpentane 1.24
    2-methyltetrahydrofuran 54.09
    n-hexyl acetate 46.23
    isooctane 0.53
    2-(2-butoxyethoxy)ethanol 68.9
    sec-butyl acetate 22.17
    tert-butyl acetate 34.53
    decalin 2.15
    glycerin 15.27
    diglyme 137.61
    acrylic acid 28.9
    isopropyl myristate 13.93
    n-butyric acid 44.87
    acetyl acetate 30.61
    di(2-ethylhexyl) phthalate 19.19
    ethyl propionate 23.61
    nitromethane 116.25
    1,2-diethoxyethane 39.03
    benzonitrile 22.35
    trioctyl phosphate 13.5
    1-bromopropane 16.01
    gamma-valerolactone 162.69
    n-decanol 10.54
    triethyl phosphate 17.79
    4-methyl-2-pentanol 7.58
    propionitrile 13.43
    vinylene carbonate 51.1
    1,1,2-trichlorotrifluoroethane 109.76
    DMS 30.62
    cumene 7.42
    2-octanol 11.35
    2-hexanone 31.35
    octyl acetate 21.41
    limonene 8.11
    1,2-dimethoxyethane 72.76
    ethyl orthosilicate 18.05
    tributyl phosphate 17.2
    diacetone alcohol 49.06
    N,N-dimethylaniline 21.62
    acrylonitrile 20.21
    aniline 16.76
    1,3-propanediol 15.74
    bromobenzene 16.66
    dibromomethane 37.36
    1,1,2,2-tetrachloroethane 102.86
    2-methyl-cyclohexyl acetate 24.01
    tetrabutyl urea 26.49
    diisobutyl methanol 5.27
    2-phenylethanol 16.5
    styrene 9.26
    dioctyl adipate 27.97
    dimethyl sulfate 62.57
    ethyl butyrate 19.21
    methyl lactate 29.3
    butyl lactate 38.88
    diethyl carbonate 13.52
    propanediol butyl ether 46.5
    triethyl orthoformate 21.0
    p-tert-butyltoluene 5.12
    methyl 4-tert-butylbenzoate 51.45
    morpholine 59.97
    tert-butylamine 7.35
    n-dodecanol 6.94
    dimethoxymethane 50.56
    ethylene carbonate 42.11
    cyrene 60.84
    2-ethoxyethyl acetate 61.76
    2-ethylhexyl acetate 17.95
    1,2,4-trichlorobenzene 33.88
    4-methylpyridine 37.74
    dibutyl ether 17.3
    2,6-dimethyl-4-heptanol 5.27
    DEF 59.75
    dimethyl isosorbide 77.0
    tetrachloroethylene 65.23
    eugenol 46.9
    triacetin 70.03
    span 80 40.6
    1,4-butanediol 10.61
    1,1-dichloroethane 32.18
    2-methyl-1-pentanol 18.68
    methyl formate 30.12
    2-methyl-1-butanol 16.07
    n-decane 1.75
    butyronitrile 13.68
    3,7-dimethyl-1-octanol 12.5
    1-chlorooctane 9.52
    1-chlorotetradecane 3.06
    n-nonane 1.44
    undecane 1.15
    tert-butylcyclohexane 1.49
    cyclooctane 0.89
    cyclopentanol 26.33
    tetrahydropyran 38.02
    tert-amyl methyl ether 21.4
    2,5,8-trioxanonane 85.28
    1-hexene 4.51
    2-isopropoxyethanol 37.01
    2,2,2-trifluoroethanol 40.18
    methyl butyrate 37.8

    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